1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid

C12H22O3 — CID 18346773

IUPAC1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid
SMILESCCCCC(O)C1(C(=O)O)CCCCC1
InChIInChI=1S/C12H22O3/c1-2-3-7-10(13)12(11(14)15)8-5-4-6-9-12/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyVJJHRFZUIKWDPO-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.57
Rot. Bonds5

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

1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid (PubChem CID 18346773) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid
PubChem CID18346773
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid
SMILESCCCCC(O)C1(C(=O)O)CCCCC1
InChIInChI=1S/C12H22O3/c1-2-3-7-10(13)12(11(14)15)8-5-4-6-9-12/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyVJJHRFZUIKWDPO-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid (CID 18346773) is 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid is CCCCC(O)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid?
The InChIKey is VJJHRFZUIKWDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-7-10(13)12(11(14)15)8-5-4-6-9-12/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid?
1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid has a molecular weight of 214.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18346773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).