1-(hydroxymethyl)cyclohexane-1-carboxylic acid

C8H14O3 — CID 21086117

IUPAC1-(hydroxymethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CO)CCCCC1
InChIInChI=1S/C8H14O3/c9-6-8(7(10)11)4-2-1-3-5-8/h9H,1-6H2,(H,10,11)
InChIKeyNROWDOFTCDMQSU-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.01
Rot. Bonds2

About 1-(hydroxymethyl)cyclohexane-1-carboxylic acid

1-(hydroxymethyl)cyclohexane-1-carboxylic acid (PubChem CID 21086117) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(hydroxymethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(hydroxymethyl)cyclohexane-1-carboxylic acid
PubChem CID21086117
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(hydroxymethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CO)CCCCC1
InChIInChI=1S/C8H14O3/c9-6-8(7(10)11)4-2-1-3-5-8/h9H,1-6H2,(H,10,11)
InChIKeyNROWDOFTCDMQSU-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(hydroxymethyl)cyclohexane-1-carboxylic acid (CID 21086117) is 1-(hydroxymethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(hydroxymethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(hydroxymethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(CO)CCCCC1.
What is the InChIKey of 1-(hydroxymethyl)cyclohexane-1-carboxylic acid?
The InChIKey is NROWDOFTCDMQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-6-8(7(10)11)4-2-1-3-5-8/h9H,1-6H2,(H,10,11).
What are the key properties of 1-(hydroxymethyl)cyclohexane-1-carboxylic acid?
1-(hydroxymethyl)cyclohexane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 21086117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).