1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid

C114H168O10 — CID 157132833

IUPAC1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid
SMILESCC1(CCCCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCCc2ccccc2CCCCC2(C(=O)O)CC2)CC1.CC1(CCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCc2ccccc2CCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C25H38O2.C24H36O2.C23H34O2.C22H32O2.C20H28O2/c1-24(17-18-24)15-9-3-2-5-11-21-13-7-8-14-22(21)12-6-4-10-16-25(19-20-25)23(26)27;1-23(16-17-23)14-8-2-4-10-20-12-6-7-13-21(20)11-5-3-9-15-24(18-19-24)22(25)26;1-22(15-16-22)13-8-6-12-20-11-5-4-10-19(20)9-3-2-7-14-23(17-18-23)21(24)25;1-21(14-15-21)12-6-4-10-18-8-2-3-9-19(18)11-5-7-13-22(16-17-22)20(23)24;1-19(12-13-19)10-4-8-16-6-2-3-7-17(16)9-5-11-20(14-15-20)18(21)22/h7-8,13-14H,2-6,9-12,15-20H2,1H3,(H,26,27);6-7,12-13H,2-5,8-11,14-19H2,1H3,(H,25,26);4-5,10-11H,2-3,6-9,12-18H2,1H3,(H,24,25);2-3,8-9H,4-7,10-17H2,1H3,(H,23,24);2-3,6-7H,4-5,8-15H2,1H3,(H,21,22)
InChIKeyAJGUZJYWPMXQKQ-UHFFFAOYSA-N
MW1698.59 g/mol
LogP30.45
Rot. Bonds59

About 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid

1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid (PubChem CID 157132833) has the molecular formula C114H168O10 and a molecular weight of 1698.59 g/mol. Its IUPAC name is 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid
PubChem CID157132833
Molecular FormulaC114H168O10
Molecular Weight1698.59 g/mol
Exact Mass1697.26
IUPAC Name1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid
SMILESCC1(CCCCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCCc2ccccc2CCCCC2(C(=O)O)CC2)CC1.CC1(CCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCc2ccccc2CCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C25H38O2.C24H36O2.C23H34O2.C22H32O2.C20H28O2/c1-24(17-18-24)15-9-3-2-5-11-21-13-7-8-14-22(21)12-6-4-10-16-25(19-20-25)23(26)27;1-23(16-17-23)14-8-2-4-10-20-12-6-7-13-21(20)11-5-3-9-15-24(18-19-24)22(25)26;1-22(15-16-22)13-8-6-12-20-11-5-4-10-19(20)9-3-2-7-14-23(17-18-23)21(24)25;1-21(14-15-21)12-6-4-10-18-8-2-3-9-19(18)11-5-7-13-22(16-17-22)20(23)24;1-19(12-13-19)10-4-8-16-6-2-3-7-17(16)9-5-11-20(14-15-20)18(21)22/h7-8,13-14H,2-6,9-12,15-20H2,1H3,(H,26,27);6-7,12-13H,2-5,8-11,14-19H2,1H3,(H,25,26);4-5,10-11H,2-3,6-9,12-18H2,1H3,(H,24,25);2-3,8-9H,4-7,10-17H2,1H3,(H,23,24);2-3,6-7H,4-5,8-15H2,1H3,(H,21,22)
InChIKeyAJGUZJYWPMXQKQ-UHFFFAOYSA-N
XLogP30.45
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds59
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001698.59
LogP ≤ 530.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[6-[2-[6-(1-acetylcyclopropyl)hexyl]phenyl]hexyl]cyclopropane-1-carboxylic acid
CID 164595174
1-[5-[3,4-dihydroxy-2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid
CID 160909230
1-[5-[3-[4-(1-carboxycyclopropyl)butyl]-2-hydroxyphenyl]pentyl]cyclopropane-1-carboxylic acid
CID 155596549
1-[4-[2-(5,5-dimethylhexyl)phenyl]butyl]cyclopropane-1-carboxylic acid;7-[2-(5,5-dimethylhexyl)phenyl]-2,2-dimethylheptanoic acid;6-[2-(5,5-dimethylhexyl)phenyl]-2,2-dimethylhexanoic acid;7-[2-(7,7-dimethyloctyl)phenyl]-2,2-dimethylheptanoic acid;8-[2-(7,7-dimethyloctyl)phenyl]-2,2-dimethyloctanoic acid
CID 157481665
1-[6-[5-[6-(1-carboxycyclopropyl)hexyl]-2,3,4-trimethylphenyl]hexyl]cyclopropane-1-carboxylic acid
CID 155596353
1-[5-[5-[4-(1-carboxycyclopropyl)butyl]-2,4-dimethylphenyl]pentyl]cyclopropane-1-carboxylic acid
CID 155596512
1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid
CID 155770756
1-[6-[2-[5-(1-carboxycyclopropyl)pentyl]-5-methylphenyl]hexyl]cyclopropane-1-carboxylic acid
CID 155770706
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-hydroxyphenyl]pentyl]cyclopropane-1-carboxylic acid
CID 155770580
1-[4-[2-[4-(1-carboxycyclopropyl)butyl]-4-methylphenyl]butyl]cyclopropane-1-carboxylic acid
CID 155770841
1-(7,7-dimethyloctyl)-2-[5-(1-methylcyclopropyl)pentyl]benzene
CID 164595052

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid (CID 157132833) is 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid is CC1(CCCCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCCc2ccccc2CCCCC2(C(=O)O)CC2)CC1.CC1(CCCCc2ccccc2CCCCCC2(C(=O)O)CC2)CC1.CC1(CCCc2ccccc2CCCC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid?
The InChIKey is AJGUZJYWPMXQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2.C24H36O2.C23H34O2.C22H32O2.C20H28O2/c1-24(17-18-24)15-9-3-2-5-11-21-13-7-8-14-22(21)12-6-4-10-16-25(19-20-25)23(26)27;1-23(16-17-23)14-8-2-4-10-20-12-6-7-13-21(20)11-5-3-9-15-24(18-19-24)22(25)26;1-22(15-16-22)13-8-6-12-20-11-5-4-10-19(20)9-3-2-7-14-23(17-18-23)21(24)25;1-21(14-15-21)12-6-4-10-18-8-2-3-9-19(18)11-5-7-13-22(16-17-22)20(23)24;1-19(12-13-19)10-4-8-16-6-2-3-7-17(16)9-5-11-20(14-15-20)18(21)22/h7-8,13-14H,2-6,9-12,15-20H2,1H3,(H,26,27);6-7,12-13H,2-5,8-11,14-19H2,1H3,(H,25,26);4-5,10-11H,2-3,6-9,12-18H2,1H3,(H,24,25);2-3,8-9H,4-7,10-17H2,1H3,(H,23,24);2-3,6-7H,4-5,8-15H2,1H3,(H,21,22).
What are the key properties of 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid?
1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid has a molecular weight of 1698.59 g/mol, XLogP of 30.45, 59 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(1-methylcyclopropyl)butyl]phenyl]butyl]cyclopropane-1-carboxylic acid;1-[5-[2-[4-(1-methylcyclopropyl)butyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[6-(1-methylcyclopropyl)hexyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[5-[2-[5-(1-methylcyclopropyl)pentyl]phenyl]pentyl]cyclopropane-1-carboxylic acid;1-[3-[2-[3-(1-methylcyclopropyl)propyl]phenyl]propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 157132833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).