2-[(4-hydroxycyclohexyl)methyl]butanoic acid

C11H20O3 — CID 142704422

IUPAC2-[(4-hydroxycyclohexyl)methyl]butanoic acid
SMILESCCC(CC1CCC(O)CC1)C(=O)O
InChIInChI=1S/C11H20O3/c1-2-9(11(13)14)7-8-3-5-10(12)6-4-8/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyMEDWYIKPSFYUPG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds4

About 2-[(4-hydroxycyclohexyl)methyl]butanoic acid

2-[(4-hydroxycyclohexyl)methyl]butanoic acid (PubChem CID 142704422) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methyl]butanoic acid
PubChem CID142704422
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[(4-hydroxycyclohexyl)methyl]butanoic acid
SMILESCCC(CC1CCC(O)CC1)C(=O)O
InChIInChI=1S/C11H20O3/c1-2-9(11(13)14)7-8-3-5-10(12)6-4-8/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyMEDWYIKPSFYUPG-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methyl]butanoic acid?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methyl]butanoic acid (CID 142704422) is 2-[(4-hydroxycyclohexyl)methyl]butanoic acid.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methyl]butanoic acid?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methyl]butanoic acid is CCC(CC1CCC(O)CC1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methyl]butanoic acid?
The InChIKey is MEDWYIKPSFYUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-9(11(13)14)7-8-3-5-10(12)6-4-8/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[(4-hydroxycyclohexyl)methyl]butanoic acid?
2-[(4-hydroxycyclohexyl)methyl]butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methyl]butanoic acid is sourced from PubChem (CID 142704422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).