(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene

C20H38 — CID 162845689

IUPAC(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene
SMILESC=C(C)/C=C/C[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC
InChIInChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h8,11,18-20H,2,7,9-10,12-16H2,1,3-6H3/b11-8+/t18-,19+,20-/m0/s1
InChIKeyHPXTYQIQNKBSIK-UQYDPPGPSA-N
MW278.52 g/mol
LogP7.17
Rot. Bonds12

About (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene

(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene (PubChem CID 162845689) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene.

Molecular Properties

Compound Name(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene
PubChem CID162845689
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene
SMILESC=C(C)/C=C/C[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC
InChIInChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h8,11,18-20H,2,7,9-10,12-16H2,1,3-6H3/b11-8+/t18-,19+,20-/m0/s1
InChIKeyHPXTYQIQNKBSIK-UQYDPPGPSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene with MolForge

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Related Compounds

(3E)-2,6,10-trimethylhexadeca-1,3-diene
CID 91752281
(3Z)-2,6,10-trimethylhexadeca-1,3-diene
CID 91752282
(4E)-2,6-dimethylhepta-4,6-dien-1-ol
CID 130146963
(2E,4E)-3,7,11-trimethyltrideca-2,4-dienoyl chloride
CID 21437686
3,7,11-trimethyltrideca-2,4-dienoyl chloride
CID 54318105
(3R,7R)-3,7-dimethylnonane
CID 42626759
6,9-dimethylundec-3-ene
CID 90927797
propyl (2E,4E)-3,7,11-trimethyltrideca-2,4-dienoate
CID 21437687
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
2,7-dimethylnon-1-ene
CID 123682074
2,6,7-trimethylocta-1,3-diene
CID 123885530

Frequently Asked Questions

What is the IUPAC name of (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene?
The IUPAC name of (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene (CID 162845689) is (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene.
What is the SMILES notation for (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene?
The canonical SMILES for (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene is C=C(C)/C=C/C[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC.
What is the InChIKey of (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene?
The InChIKey is HPXTYQIQNKBSIK-UQYDPPGPSA-N. The full InChI is InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h8,11,18-20H,2,7,9-10,12-16H2,1,3-6H3/b11-8+/t18-,19+,20-/m0/s1.
What are the key properties of (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene?
(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene has a molecular weight of 278.52 g/mol, XLogP of 7.17, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene is sourced from PubChem (CID 162845689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).