1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid

C15H26O3 — CID 79425753

IUPAC1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(C2CCCCCC2O)CC1
InChIInChI=1S/C15H26O3/c1-11-7-9-15(10-8-11,14(17)18)12-5-3-2-4-6-13(12)16/h11-13,16H,2-10H2,1H3,(H,17,18)
InChIKeyMUKYAHIYKSXQER-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.21
Rot. Bonds2

About 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid

1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 79425753) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid
PubChem CID79425753
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(C2CCCCCC2O)CC1
InChIInChI=1S/C15H26O3/c1-11-7-9-15(10-8-11,14(17)18)12-5-3-2-4-6-13(12)16/h11-13,16H,2-10H2,1H3,(H,17,18)
InChIKeyMUKYAHIYKSXQER-UHFFFAOYSA-N
XLogP3.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid (CID 79425753) is 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(C2CCCCCC2O)CC1.
What is the InChIKey of 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is MUKYAHIYKSXQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-11-7-9-15(10-8-11,14(17)18)12-5-3-2-4-6-13(12)16/h11-13,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid?
1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79425753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).