(3E)-2,6,10-trimethylhexadeca-1,3-diene

C19H36 — CID 91752281

IUPAC(3E)-2,6,10-trimethylhexadeca-1,3-diene
SMILESC=C(C)/C=C/CC(C)CCCC(C)CCCCCC
InChIInChI=1S/C19H36/c1-6-7-8-9-13-18(4)15-11-16-19(5)14-10-12-17(2)3/h10,12,18-19H,2,6-9,11,13-16H2,1,3-5H3/b12-10+
InChIKeyULHQOMQHIURLGG-ZRDIBKRKSA-N
MW264.50 g/mol
LogP6.92
Rot. Bonds12

About (3E)-2,6,10-trimethylhexadeca-1,3-diene

(3E)-2,6,10-trimethylhexadeca-1,3-diene (PubChem CID 91752281) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is (3E)-2,6,10-trimethylhexadeca-1,3-diene.

Molecular Properties

Compound Name(3E)-2,6,10-trimethylhexadeca-1,3-diene
PubChem CID91752281
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name(3E)-2,6,10-trimethylhexadeca-1,3-diene
SMILESC=C(C)/C=C/CC(C)CCCC(C)CCCCCC
InChIInChI=1S/C19H36/c1-6-7-8-9-13-18(4)15-11-16-19(5)14-10-12-17(2)3/h10,12,18-19H,2,6-9,11,13-16H2,1,3-5H3/b12-10+
InChIKeyULHQOMQHIURLGG-ZRDIBKRKSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2,6,10-trimethylhexadeca-1,3-diene
CID 91752282
(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene
CID 162845689
6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene
CID 141011255
(E)-6-methylhexadec-3-ene
CID 173194211
(Z)-5-methylundec-2-enoic acid
CID 155211364
6,10-dimethyloctadecane
CID 86144179
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
9,16-dimethyltetracos-11-ene
CID 123705440
15,19-dimethylpentatriacontane
CID 521781
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565

Frequently Asked Questions

What is the IUPAC name of (3E)-2,6,10-trimethylhexadeca-1,3-diene?
The IUPAC name of (3E)-2,6,10-trimethylhexadeca-1,3-diene (CID 91752281) is (3E)-2,6,10-trimethylhexadeca-1,3-diene.
What is the SMILES notation for (3E)-2,6,10-trimethylhexadeca-1,3-diene?
The canonical SMILES for (3E)-2,6,10-trimethylhexadeca-1,3-diene is C=C(C)/C=C/CC(C)CCCC(C)CCCCCC.
What is the InChIKey of (3E)-2,6,10-trimethylhexadeca-1,3-diene?
The InChIKey is ULHQOMQHIURLGG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H36/c1-6-7-8-9-13-18(4)15-11-16-19(5)14-10-12-17(2)3/h10,12,18-19H,2,6-9,11,13-16H2,1,3-5H3/b12-10+.
What are the key properties of (3E)-2,6,10-trimethylhexadeca-1,3-diene?
(3E)-2,6,10-trimethylhexadeca-1,3-diene has a molecular weight of 264.50 g/mol, XLogP of 6.92, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,6,10-trimethylhexadeca-1,3-diene is sourced from PubChem (CID 91752281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).