(5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one

C15H22O2 — CID 162958275

IUPAC(5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one
SMILESC=C[C@](C)(O)C/C=C/C(C)=C/C(=O)C=C(C)C
InChIInChI=1S/C15H22O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6-8,10-11,17H,1,9H2,2-5H3/b8-7+,13-11+/t15-/m0/s1
InChIKeyVJTLYZMVAHGVGD-HIJPRNNNSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds6

About (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one

(5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one (PubChem CID 162958275) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one.

Molecular Properties

Compound Name(5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one
PubChem CID162958275
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one
SMILESC=C[C@](C)(O)C/C=C/C(C)=C/C(=O)C=C(C)C
InChIInChI=1S/C15H22O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6-8,10-11,17H,1,9H2,2-5H3/b8-7+,13-11+/t15-/m0/s1
InChIKeyVJTLYZMVAHGVGD-HIJPRNNNSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol
CID 163086430
(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol
CID 5368118
(3S)-3-methylhexa-1,5-dien-3-ol
CID 11564468
9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one
CID 590849
(6,10-dihydroxy-2,6,10-trimethyldodeca-1,7,11-trien-3-yl) acetate
CID 74400139
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
CID 163027409
(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
CID 10397471
[(6E)-3-hydroxy-3,7,11-trimethyl-9-oxododeca-1,6,10-trien-5-yl] acetate
CID 102239687
2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol
CID 163127323
1-bromo-2-methylbut-3-en-2-ol
CID 551234

Frequently Asked Questions

What is the IUPAC name of (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one?
The IUPAC name of (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one (CID 162958275) is (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one.
What is the SMILES notation for (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one?
The canonical SMILES for (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one is C=C[C@](C)(O)C/C=C/C(C)=C/C(=O)C=C(C)C.
What is the InChIKey of (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one?
The InChIKey is VJTLYZMVAHGVGD-HIJPRNNNSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6-8,10-11,17H,1,9H2,2-5H3/b8-7+,13-11+/t15-/m0/s1.
What are the key properties of (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one?
(5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one has a molecular weight of 234.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one is sourced from PubChem (CID 162958275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).