1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone

C8H12O2 — CID 95003062

IUPAC1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CC[C@@H](O)CC1
InChIInChI=1S/C8H12O2/c1-6(9)7-2-4-8(10)5-3-7/h2,8,10H,3-5H2,1H3/t8-/m1/s1
InChIKeyUCWQGMKSQJEMFL-MRVPVSSYSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds1

About 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone

1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone (PubChem CID 95003062) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone
PubChem CID95003062
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CC[C@@H](O)CC1
InChIInChI=1S/C8H12O2/c1-6(9)7-2-4-8(10)5-3-7/h2,8,10H,3-5H2,1H3/t8-/m1/s1
InChIKeyUCWQGMKSQJEMFL-MRVPVSSYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone?
The IUPAC name of 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone (CID 95003062) is 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone is CC(=O)C1=CC[C@@H](O)CC1.
What is the InChIKey of 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone?
The InChIKey is UCWQGMKSQJEMFL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(9)7-2-4-8(10)5-3-7/h2,8,10H,3-5H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone?
1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone has a molecular weight of 140.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone is sourced from PubChem (CID 95003062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).