(6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one

C14H22O2 — CID 162978094

IUPAC(6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one
SMILESC=CCCC[C@@H](C)[C@H]1CCC(CO)=CC1=O
InChIInChI=1S/C14H22O2/c1-3-4-5-6-11(2)13-8-7-12(10-15)9-14(13)16/h3,9,11,13,15H,1,4-8,10H2,2H3/t11-,13-/m1/s1
InChIKeyYOQGWYGRDOUVJC-DGCLKSJQSA-N
MW222.33 g/mol
LogP2.88
Rot. Bonds6

About (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one

(6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one (PubChem CID 162978094) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one
PubChem CID162978094
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one
SMILESC=CCCC[C@@H](C)[C@H]1CCC(CO)=CC1=O
InChIInChI=1S/C14H22O2/c1-3-4-5-6-11(2)13-8-7-12(10-15)9-14(13)16/h3,9,11,13,15H,1,4-8,10H2,2H3/t11-,13-/m1/s1
InChIKeyYOQGWYGRDOUVJC-DGCLKSJQSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Epiblumenol B
CID 14135401
trans-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429209
Bisacurone
CID 14287397
15-Hydroxysolavetivone
CID 25200393
(1R,4Z,9S)-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
CID 13970045
6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one
CID 45359408
Argutosine B
CID 46930873
Npc111520
CID 14135402
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 118284
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

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one?
The IUPAC name of (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one (CID 162978094) is (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one is C=CCCC[C@@H](C)[C@H]1CCC(CO)=CC1=O.
What is the InChIKey of (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one?
The InChIKey is YOQGWYGRDOUVJC-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-5-6-11(2)13-8-7-12(10-15)9-14(13)16/h3,9,11,13,15H,1,4-8,10H2,2H3/t11-,13-/m1/s1.
What are the key properties of (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one?
(6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2R)-hept-6-en-2-yl]-3-(hydroxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 162978094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).