1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid

C15H26O3 — CID 79429318

IUPAC1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C)CCC(CC2(O)CCCC2)(C(=O)O)CC1
InChIInChI=1S/C15H26O3/c1-13(2)7-9-14(10-8-13,12(16)17)11-15(18)5-3-4-6-15/h18H,3-11H2,1-2H3,(H,16,17)
InChIKeyHCYWUCSIAGGLSM-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.35
Rot. Bonds3

About 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid

1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid (PubChem CID 79429318) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
PubChem CID79429318
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C)CCC(CC2(O)CCCC2)(C(=O)O)CC1
InChIInChI=1S/C15H26O3/c1-13(2)7-9-14(10-8-13,12(16)17)11-15(18)5-3-4-6-15/h18H,3-11H2,1-2H3,(H,16,17)
InChIKeyHCYWUCSIAGGLSM-UHFFFAOYSA-N
XLogP3.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid (CID 79429318) is 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid is CC1(C)CCC(CC2(O)CCCC2)(C(=O)O)CC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is HCYWUCSIAGGLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-13(2)7-9-14(10-8-13,12(16)17)11-15(18)5-3-4-6-15/h18H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid?
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79429318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).