(E)-6,12-dimethylpentadec-5-en-2-one;ethene

C19H36O — CID 19847210

IUPAC(E)-6,12-dimethylpentadec-5-en-2-one;ethene
SMILESC=C.CCCC(C)CCCCC/C(C)=C/CCC(C)=O
InChIInChI=1S/C17H32O.C2H4/c1-5-10-15(2)11-7-6-8-12-16(3)13-9-14-17(4)18;1-2/h13,15H,5-12,14H2,1-4H3;1-2H2/b16-13+;
InChIKeyCLNOYBXPKAXKPJ-ZUQRMPMESA-N
MW280.50 g/mol
LogP6.49
Rot. Bonds11

About (E)-6,12-dimethylpentadec-5-en-2-one;ethene

(E)-6,12-dimethylpentadec-5-en-2-one;ethene (PubChem CID 19847210) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (E)-6,12-dimethylpentadec-5-en-2-one;ethene.

Molecular Properties

Compound Name(E)-6,12-dimethylpentadec-5-en-2-one;ethene
PubChem CID19847210
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(E)-6,12-dimethylpentadec-5-en-2-one;ethene
SMILESC=C.CCCC(C)CCCCC/C(C)=C/CCC(C)=O
InChIInChI=1S/C17H32O.C2H4/c1-5-10-15(2)11-7-6-8-12-16(3)13-9-14-17(4)18;1-2/h13,15H,5-12,14H2,1-4H3;1-2H2/b16-13+;
InChIKeyCLNOYBXPKAXKPJ-ZUQRMPMESA-N
XLogP6.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 19847213
7-methyldecan-2-one
CID 54155197
(2Z,6Z)-3,7,11-trimethyldocosa-2,6-dienoic acid
CID 131839736
17-methylpentacosan-2-one
CID 57068605
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
(E)-6,10-dimethylpentadec-5-en-2-ol
CID 129151744
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
3,3-dihydroxy-8,12,16,20-tetramethylhenicos-7-en-4-one
CID 175386593
acetic acid;9-methyldodecan-1-ol
CID 71407240
(5E,10E)-6-methyldodeca-5,10-dien-2-one
CID 21432644

Frequently Asked Questions

What is the IUPAC name of (E)-6,12-dimethylpentadec-5-en-2-one;ethene?
The IUPAC name of (E)-6,12-dimethylpentadec-5-en-2-one;ethene (CID 19847210) is (E)-6,12-dimethylpentadec-5-en-2-one;ethene.
What is the SMILES notation for (E)-6,12-dimethylpentadec-5-en-2-one;ethene?
The canonical SMILES for (E)-6,12-dimethylpentadec-5-en-2-one;ethene is C=C.CCCC(C)CCCCC/C(C)=C/CCC(C)=O.
What is the InChIKey of (E)-6,12-dimethylpentadec-5-en-2-one;ethene?
The InChIKey is CLNOYBXPKAXKPJ-ZUQRMPMESA-N. The full InChI is InChI=1S/C17H32O.C2H4/c1-5-10-15(2)11-7-6-8-12-16(3)13-9-14-17(4)18;1-2/h13,15H,5-12,14H2,1-4H3;1-2H2/b16-13+;.
What are the key properties of (E)-6,12-dimethylpentadec-5-en-2-one;ethene?
(E)-6,12-dimethylpentadec-5-en-2-one;ethene has a molecular weight of 280.50 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,12-dimethylpentadec-5-en-2-one;ethene is sourced from PubChem (CID 19847210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).