1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone

C10H16O2 — CID 134980975

IUPAC1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone
SMILESC=C[C@H]1[C@H](O)CCC[C@H]1C(C)=O
InChIInChI=1S/C10H16O2/c1-3-8-9(7(2)11)5-4-6-10(8)12/h3,8-10,12H,1,4-6H2,2H3/t8-,9+,10-/m1/s1
InChIKeyUYACKSRKOJEAHY-KXUCPTDWSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds2

About 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone

1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone (PubChem CID 134980975) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone
PubChem CID134980975
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone
SMILESC=C[C@H]1[C@H](O)CCC[C@H]1C(C)=O
InChIInChI=1S/C10H16O2/c1-3-8-9(7(2)11)5-4-6-10(8)12/h3,8-10,12H,1,4-6H2,2H3/t8-,9+,10-/m1/s1
InChIKeyUYACKSRKOJEAHY-KXUCPTDWSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,5R)-4-hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-one
CID 24862655
(2S,4S,5S)-4-hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-one
CID 163074360
(3R,3aR,7S,7aR)-3-ethenyl-7-hydroxy-3a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-4-one
CID 11708216
(2R,3R,5R)-2-(1-hydroxyethyl)-5-methyl-3-prop-2-enylcyclohexan-1-one
CID 49837419
cis-(2S,3R)-2-(1-hydroxyethyl)-5-methyl-3-prop-2-enylcyclohexan-1-one
CID 134943737
4-Hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-one
CID 74337006
(3R,4R,5R,6S)-4-ethenyl-2-[(1R)-1-hydroxy-2-methylpropyl]-3,5,6-trimethylcyclohexan-1-one
CID 17757178
Methyl 2-hydroxy-6-vinylcyclohexanecarboxylate
CID 574870
2-Hydroxy-6-methyl-3-prop-1-en-2-ylcyclohexan-1-one
CID 13990844
4-Hydroxy-2-prop-2-enylcyclohexan-1-one
CID 67689481
4-(1-Hydroxybut-3-enyl)cyclohexan-1-one
CID 68004082
5-(3-Hydroxycyclohexyl)pent-1-en-3-one
CID 69782823

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone?
The IUPAC name of 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone (CID 134980975) is 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone is C=C[C@H]1[C@H](O)CCC[C@H]1C(C)=O.
What is the InChIKey of 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone?
The InChIKey is UYACKSRKOJEAHY-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8-9(7(2)11)5-4-6-10(8)12/h3,8-10,12H,1,4-6H2,2H3/t8-,9+,10-/m1/s1.
What are the key properties of 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone?
1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,3R)-2-ethenyl-3-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 134980975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).