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

C20H38 — CID 90471422

IUPAC(3E)-2,6,10,14-tetramethylhexadeca-1,3-diene
SMILESC=C(C)/C=C/CC(C)CCCC(C)CCCC(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+
InChIKeyHPXTYQIQNKBSIK-DHZHZOJOSA-N
MW278.52 g/mol
LogP7.17
Rot. Bonds12

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

(3E)-2,6,10,14-tetramethylhexadeca-1,3-diene (PubChem CID 90471422) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is (3E)-2,6,10,14-tetramethylhexadeca-1,3-diene.

Molecular Properties

Compound Name(3E)-2,6,10,14-tetramethylhexadeca-1,3-diene
PubChem CID90471422
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name(3E)-2,6,10,14-tetramethylhexadeca-1,3-diene
SMILESC=C(C)/C=C/CC(C)CCCC(C)CCCC(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+
InChIKeyHPXTYQIQNKBSIK-DHZHZOJOSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,6,10,14-tetramethylhexadeca-1,3-diene?
The IUPAC name of (3E)-2,6,10,14-tetramethylhexadeca-1,3-diene (CID 90471422) is (3E)-2,6,10,14-tetramethylhexadeca-1,3-diene.
What is the SMILES notation for (3E)-2,6,10,14-tetramethylhexadeca-1,3-diene?
The canonical SMILES for (3E)-2,6,10,14-tetramethylhexadeca-1,3-diene is C=C(C)/C=C/CC(C)CCCC(C)CCCC(C)CC.
What is the InChIKey of (3E)-2,6,10,14-tetramethylhexadeca-1,3-diene?
The InChIKey is HPXTYQIQNKBSIK-DHZHZOJOSA-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+.
What are the key properties of (3E)-2,6,10,14-tetramethylhexadeca-1,3-diene?
(3E)-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)-2,6,10,14-tetramethylhexadeca-1,3-diene is sourced from PubChem (CID 90471422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).