(6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one

C10H14O2 — CID 102066530

IUPAC(6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@H]1CCC(CO)=CC1=O
InChIInChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5,9,11H,1,3-4,6H2,2H3/t9-/m1/s1
InChIKeyCEDFISJRLGHBTE-SECBINFHSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds2

About (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one

(6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 102066530) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID102066530
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@H]1CCC(CO)=CC1=O
InChIInChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5,9,11H,1,3-4,6H2,2H3/t9-/m1/s1
InChIKeyCEDFISJRLGHBTE-SECBINFHSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
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

4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
CID 566734
trans-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429209
15-Hydroxysolavetivone
CID 25200393
cis-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429208
5-Hydroxy-p-menth-6-en-2-one
CID 14106048
Oxysolavetivone
CID 74427721
3-Hydroxy-p-mentha-1,8-dien-7-al
CID 85247137
Jasminodiol
CID 24896698
2-Cyclohexen-1-one, 4-hydroxy-2-methyl-5-(1-methylethyl)-, (4R,5S)-rel-
CID 44234541
(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 15939501
5-Hydroxy-p-mentha-6,8-dien-2-one
CID 14379178
Apocynol A
CID 11053300

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one (CID 102066530) is (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)[C@H]1CCC(CO)=CC1=O.
What is the InChIKey of (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is CEDFISJRLGHBTE-SECBINFHSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5,9,11H,1,3-4,6H2,2H3/t9-/m1/s1.
What are the key properties of (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one?
(6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 102066530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).