2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid

C24H38O2 — CID 170139630

IUPAC2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid
SMILESCC1(CCCCCc2ccc(CCCCCC(C)(C)C(=O)O)cc2)CC1
InChIInChI=1S/C24H38O2/c1-23(2,22(25)26)16-8-4-6-10-20-12-14-21(15-13-20)11-7-5-9-17-24(3)18-19-24/h12-15H,4-11,16-19H2,1-3H3,(H,25,26)
InChIKeyMPUQQYHXDHHCPC-UHFFFAOYSA-N
MW358.57 g/mol
LogP6.80
Rot. Bonds13

About 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid

2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid (PubChem CID 170139630) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid
PubChem CID170139630
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid
SMILESCC1(CCCCCc2ccc(CCCCCC(C)(C)C(=O)O)cc2)CC1
InChIInChI=1S/C24H38O2/c1-23(2,22(25)26)16-8-4-6-10-20-12-14-21(15-13-20)11-7-5-9-17-24(3)18-19-24/h12-15H,4-11,16-19H2,1-3H3,(H,25,26)
InChIKeyMPUQQYHXDHHCPC-UHFFFAOYSA-N
XLogP6.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-7-[4-[4-(1-methylcyclopropyl)butyl]phenyl]heptanoic acid
CID 170139606
7-[4-[4-(1-formyloxycyclopropyl)butyl]phenyl]-2,2-dimethylheptanoic acid
CID 155771066
7-[4-(6,6-dimethyl-7-oxooctyl)phenyl]-2,2-dimethylheptanoic acid
CID 164594943
7-(4-methoxyphenyl)-2,2-dimethylheptanoic acid
CID 139937428
7-[3-(6-carboxy-6-methylheptyl)phenyl]-2,2-dimethylheptanoic acid
CID 155770738
5-[4-(4,4-dimethyl-5-oxohexyl)phenyl]-2,2-dimethylpentanoic acid
CID 164595150
2-(5,5-dimethylhexyl)-4-[5-(1-methylcyclopropyl)pentyl]phenol
CID 170103693
1-[6-[2-(7-carboxy-7-methyloctyl)-3,6-dihydroxyphenyl]hexyl]cyclopropane-1-carboxylic acid
CID 155771292
7-[4-[4-(1-formyloxycyclopropyl)butyl]-2-methylphenyl]-2,2-dimethylheptanoic acid
CID 155770594
7-[3-(5-carboxy-5-methylhexyl)-4-hydroxyphenyl]-2,2-dimethylheptanoic acid
CID 155596139
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid?
The IUPAC name of 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid (CID 170139630) is 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid.
What is the SMILES notation for 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid?
The canonical SMILES for 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid is CC1(CCCCCc2ccc(CCCCCC(C)(C)C(=O)O)cc2)CC1.
What is the InChIKey of 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid?
The InChIKey is MPUQQYHXDHHCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-23(2,22(25)26)16-8-4-6-10-20-12-14-21(15-13-20)11-7-5-9-17-24(3)18-19-24/h12-15H,4-11,16-19H2,1-3H3,(H,25,26).
What are the key properties of 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid?
2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid has a molecular weight of 358.57 g/mol, XLogP of 6.80, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-[4-[5-(1-methylcyclopropyl)pentyl]phenyl]heptanoic acid is sourced from PubChem (CID 170139630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).