(6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one

C18H30O2 — CID 10062117

IUPAC(6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one
SMILESCC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC[C@@H](C)O
InChIInChI=1S/C18H30O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9-10,12,17,19H,6-8,11,13H2,1-5H3/b15-9+,16-10+/t17-/m1/s1
InChIKeyCNESKTGKCQGZAS-FHWPDMRGSA-N
MW278.44 g/mol
LogP4.75
Rot. Bonds9

About (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one

(6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one (PubChem CID 10062117) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one.

Molecular Properties

Compound Name(6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one
PubChem CID10062117
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one
SMILESCC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC[C@@H](C)O
InChIInChI=1S/C18H30O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9-10,12,17,19H,6-8,11,13H2,1-5H3/b15-9+,16-10+/t17-/m1/s1
InChIKeyCNESKTGKCQGZAS-FHWPDMRGSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.75
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'}

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Related Compounds

(6E,10E,14E)-16-Hydroxy-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraen-4-one
CID 6439034
(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one
CID 101648402
(5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one
CID 23426807
(5E,9E,13R)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one
CID 23426356
(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 44586967
Hedaol C
CID 9970803
Hedaol A
CID 10084972
(6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one
CID 14681720
(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-one
CID 44584712
16-Hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one
CID 128931
2,6,10-Dodecatrien-4-one, 12-hydroxy-2,6,10-trimethyl-, (E,E,E)-
CID 78385385
(5E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one
CID 162850566

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one?
The IUPAC name of (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one (CID 10062117) is (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one.
What is the SMILES notation for (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one?
The canonical SMILES for (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one is CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC[C@@H](C)O.
What is the InChIKey of (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one?
The InChIKey is CNESKTGKCQGZAS-FHWPDMRGSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9-10,12,17,19H,6-8,11,13H2,1-5H3/b15-9+,16-10+/t17-/m1/s1.
What are the key properties of (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one?
(6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one has a molecular weight of 278.44 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,6,10-trien-4-one is sourced from PubChem (CID 10062117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).