(5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one

C19H34O2 — CID 13069693

IUPAC(5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one
SMILESCCCC(=O)/C=C(C)/C=C/CC(C)CCCC(C)(C)OC
InChIInChI=1S/C19H34O2/c1-7-10-18(20)15-17(3)12-8-11-16(2)13-9-14-19(4,5)21-6/h8,12,15-16H,7,9-11,13-14H2,1-6H3/b12-8+,17-15+
InChIKeyKERRDTAJVWEFTN-MSEWRAJFSA-N
MW294.48 g/mol
LogP5.48
Rot. Bonds11

About (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one

(5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one (PubChem CID 13069693) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one.

Molecular Properties

Compound Name(5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one
PubChem CID13069693
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one
SMILESCCCC(=O)/C=C(C)/C=C/CC(C)CCCC(C)(C)OC
InChIInChI=1S/C19H34O2/c1-7-10-18(20)15-17(3)12-8-11-16(2)13-9-14-19(4,5)21-6/h8,12,15-16H,7,9-11,13-14H2,1-6H3/b12-8+,17-15+
InChIKeyKERRDTAJVWEFTN-MSEWRAJFSA-N
XLogP5.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Lophodienone
CID 16099468
R.g.-Keto I
CID 23724691
(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,26,30-undecaen-5-one
CID 87443186
(6E,8E,10E,12E,14E,16E,18E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,22,26,30-decaen-5-one
CID 87795540
(4E,6E)-13-hydroxy-5,9,13-trimethyltetradeca-4,6-dien-3-one
CID 21558042
(4E,6E)-13-Methoxy-5,9,13-trimethyl-4,6-tetradecadien-3-one
CID 21558046
2-Methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,30-dodecaen-5-one
CID 74089784
2-Methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,26,30-undecaen-5-one
CID 162974434
2-Methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,22,26,30-decaen-5-one
CID 163068044
(5E,7E)-14-methoxy-3,6,10,14-tetramethylpentadeca-5,7-dien-4-one
CID 44283820
(5E,7E)-14-methoxy-2,6,10,14-tetramethylpentadeca-5,7-dien-4-one
CID 44283823
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one
CID 23724694

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one?
The IUPAC name of (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one (CID 13069693) is (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one.
What is the SMILES notation for (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one?
The canonical SMILES for (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one is CCCC(=O)/C=C(C)/C=C/CC(C)CCCC(C)(C)OC.
What is the InChIKey of (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one?
The InChIKey is KERRDTAJVWEFTN-MSEWRAJFSA-N. The full InChI is InChI=1S/C19H34O2/c1-7-10-18(20)15-17(3)12-8-11-16(2)13-9-14-19(4,5)21-6/h8,12,15-16H,7,9-11,13-14H2,1-6H3/b12-8+,17-15+.
What are the key properties of (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one?
(5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one has a molecular weight of 294.48 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-14-methoxy-6,10,14-trimethylpentadeca-5,7-dien-4-one is sourced from PubChem (CID 13069693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).