1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid

C12H22O3 — CID 90772055

IUPAC1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid
SMILESCCCCC(O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O3/c1-2-3-6-10(13)9-12(11(14)15)7-4-5-8-12/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyJTAMLXGHHUEAQV-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.57
Rot. Bonds6

About 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid

1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid (PubChem CID 90772055) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid
PubChem CID90772055
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid
SMILESCCCCC(O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O3/c1-2-3-6-10(13)9-12(11(14)15)7-4-5-8-12/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyJTAMLXGHHUEAQV-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid (CID 90772055) is 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid is CCCCC(O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid?
The InChIKey is JTAMLXGHHUEAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-6-10(13)9-12(11(14)15)7-4-5-8-12/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid?
1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid has a molecular weight of 214.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyhexyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 90772055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).