1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid

C9H16O3 — CID 3060307

IUPAC1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CCO)CCCCC1
InChIInChI=1S/C9H16O3/c10-7-6-9(8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12)
InChIKeyVDCVDCGQFODZQS-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.40
Rot. Bonds3

About 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid

1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid (PubChem CID 3060307) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
PubChem CID3060307
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CCO)CCCCC1
InChIInChI=1S/C9H16O3/c10-7-6-9(8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12)
InChIKeyVDCVDCGQFODZQS-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
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1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-(3-methylbut-3-enyl)cyclohexane-1-carboxylic acid
CID 114473263
1-(2-cyclohexylethyl)cycloheptane-1-carboxylic acid
CID 114193201

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid (CID 3060307) is 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(CCO)CCCCC1.
What is the InChIKey of 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid?
The InChIKey is VDCVDCGQFODZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-7-6-9(8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12).
What are the key properties of 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid?
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid has a molecular weight of 172.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3060307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).