1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene

C18H30O2 — CID 130409372

IUPAC1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1ccc(C(C)C(C)CC(C)C)cc1
InChIInChI=1S/C18H30O2/c1-14(2)12-15(3)16(4)18-8-6-17(7-9-18)13-20-11-10-19-5/h6-9,14-16H,10-13H2,1-5H3
InChIKeyKNMQYCNCZFDFJB-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.64
Rot. Bonds9

About 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene

1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene (PubChem CID 130409372) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene
PubChem CID130409372
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1ccc(C(C)C(C)CC(C)C)cc1
InChIInChI=1S/C18H30O2/c1-14(2)12-15(3)16(4)18-8-6-17(7-9-18)13-20-11-10-19-5/h6-9,14-16H,10-13H2,1-5H3
InChIKeyKNMQYCNCZFDFJB-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol
CID 139733834
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 118325862
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
CID 102087372
4-(2-methoxyethoxymethyl)benzenecarbothioamide
CID 24697580
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
4-[3-(2-methoxyethoxy)propoxymethyl]benzenecarbothioamide
CID 103402599
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene?
The IUPAC name of 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene (CID 130409372) is 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene.
What is the SMILES notation for 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene?
The canonical SMILES for 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene is COCCOCc1ccc(C(C)C(C)CC(C)C)cc1.
What is the InChIKey of 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene?
The InChIKey is KNMQYCNCZFDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)12-15(3)16(4)18-8-6-17(7-9-18)13-20-11-10-19-5/h6-9,14-16H,10-13H2,1-5H3.
What are the key properties of 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene?
1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene has a molecular weight of 278.44 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene is sourced from PubChem (CID 130409372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).