1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid

C17H30O2 — CID 80611832

IUPAC1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid
SMILESCC1CC(C)CC(C2(C(=O)O)CCCCCCC2)C1
InChIInChI=1S/C17H30O2/c1-13-10-14(2)12-15(11-13)17(16(18)19)8-6-4-3-5-7-9-17/h13-15H,3-12H2,1-2H3,(H,18,19)
InChIKeyBNCFLOLKLDRTJX-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.87
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid

1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid (PubChem CID 80611832) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid
PubChem CID80611832
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid
SMILESCC1CC(C)CC(C2(C(=O)O)CCCCCCC2)C1
InChIInChI=1S/C17H30O2/c1-13-10-14(2)12-15(11-13)17(16(18)19)8-6-4-3-5-7-9-17/h13-15H,3-12H2,1-2H3,(H,18,19)
InChIKeyBNCFLOLKLDRTJX-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428456
1-(4-ethylcyclohexyl)cycloheptane-1-carboxylic acid
CID 79428746
4-tert-butyl-1-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 79425363
1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
CID 79425993
1-(1,1-dioxothiolan-3-yl)cyclooctane-1-carboxylic acid
CID 80610840
1-[(1R,5R,7S)-4,4-dimethyl-3-oxo-2-oxa-9-azabicyclo[3.3.1]nonan-7-yl]cyclohexane-1-carboxylic acid
CID 102513488
1-(1,1-dioxothian-4-yl)cyclobutane-1-carboxylic acid
CID 82619742
1-(oxiran-2-yl)cyclohexane-1-carboxylic acid
CID 10511348
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
1-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235039
[1-(3,5-dimethylcyclohexyl)cyclohexyl]-dimethoxysilane
CID 173107708
1-(3-ethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425098

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid (CID 80611832) is 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid is CC1CC(C)CC(C2(C(=O)O)CCCCCCC2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid?
The InChIKey is BNCFLOLKLDRTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-13-10-14(2)12-15(11-13)17(16(18)19)8-6-4-3-5-7-9-17/h13-15H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid?
1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid has a molecular weight of 266.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid is sourced from PubChem (CID 80611832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).