1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone

C10H16O2 — CID 45086460

IUPAC1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone
SMILESC=C[C@@]1(C(C)=O)CCCC[C@@H]1O
InChIInChI=1S/C10H16O2/c1-3-10(8(2)11)7-5-4-6-9(10)12/h3,9,12H,1,4-7H2,2H3/t9-,10-/m0/s1
InChIKeyWMORTUOIMFRVTC-UWVGGRQHSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds2

About 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone

1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone (PubChem CID 45086460) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone
PubChem CID45086460
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone
SMILESC=C[C@@]1(C(C)=O)CCCC[C@@H]1O
InChIInChI=1S/C10H16O2/c1-3-10(8(2)11)7-5-4-6-9(10)12/h3,9,12H,1,4-7H2,2H3/t9-,10-/m0/s1
InChIKeyWMORTUOIMFRVTC-UWVGGRQHSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone?
The IUPAC name of 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone (CID 45086460) is 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone is C=C[C@@]1(C(C)=O)CCCC[C@@H]1O.
What is the InChIKey of 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone?
The InChIKey is WMORTUOIMFRVTC-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10(8(2)11)7-5-4-6-9(10)12/h3,9,12H,1,4-7H2,2H3/t9-,10-/m0/s1.
What are the key properties of 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone?
1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-1-ethenyl-2-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 45086460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).