(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one

C15H24O2 — CID 162961639

IUPAC(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one
SMILESC=C[C@](C)(CCC=C(C)C)CC(O)=CC(C)=O
InChIInChI=1S/C15H24O2/c1-6-15(5,9-7-8-12(2)3)11-14(17)10-13(4)16/h6,8,10,17H,1,7,9,11H2,2-5H3/t15-/m1/s1
InChIKeyOTCSDKPGEPCFBC-OAHLLOKOSA-N
MW236.35 g/mol
LogP4.35
Rot. Bonds7

About (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one

(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one (PubChem CID 162961639) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one.

Molecular Properties

Compound Name(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one
PubChem CID162961639
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one
SMILESC=C[C@](C)(CCC=C(C)C)CC(O)=CC(C)=O
InChIInChI=1S/C15H24O2/c1-6-15(5,9-7-8-12(2)3)11-14(17)10-13(4)16/h6,8,10,17H,1,7,9,11H2,2-5H3/t15-/m1/s1
InChIKeyOTCSDKPGEPCFBC-OAHLLOKOSA-N
XLogP4.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one with MolForge

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Related Compounds

(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid
CID 174495173
6-ethenyl-2,6-dimethyl-8-methylidenedec-2-ene
CID 154718981
5-ethenyl-3,5,9-trimethyldec-8-enoic acid
CID 87972506
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
2-methyl-2-(4-methylpent-3-enyl)oct-7-enal
CID 11506828
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
(5-methyl-2-propan-2-ylphenyl) 3-ethenyl-3,7-dimethyloct-6-enoate
CID 139600048
3-ethenyl-2-ethyl-3,7-dimethyloct-6-enoic acid
CID 14910872
3,7-dimethylocta-1,6-dien-3-ylsulfanyl(methylsulfanyl)methanone
CID 15754573
2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid
CID 18515721

Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one?
The IUPAC name of (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one (CID 162961639) is (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one.
What is the SMILES notation for (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one?
The canonical SMILES for (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one is C=C[C@](C)(CCC=C(C)C)CC(O)=CC(C)=O.
What is the InChIKey of (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one?
The InChIKey is OTCSDKPGEPCFBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-15(5,9-7-8-12(2)3)11-14(17)10-13(4)16/h6,8,10,17H,1,7,9,11H2,2-5H3/t15-/m1/s1.
What are the key properties of (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one?
(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one has a molecular weight of 236.35 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one is sourced from PubChem (CID 162961639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).