(3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene

C20H32 — CID 5365883

IUPAC(3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene
SMILESC=C/C(C)=C/C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+
InChIKeyKFHRKQVLZRJWNB-OBHWEXPVSA-N
MW272.48 g/mol
LogP6.93
Rot. Bonds9

About (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene

(3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene (PubChem CID 5365883) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene.

Molecular Properties

Compound Name(3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene
PubChem CID5365883
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene
SMILESC=C/C(C)=C/C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+
InChIKeyKFHRKQVLZRJWNB-OBHWEXPVSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene?
The IUPAC name of (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene (CID 5365883) is (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene.
What is the SMILES notation for (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene?
The canonical SMILES for (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene is C=C/C(C)=C/C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene?
The InChIKey is KFHRKQVLZRJWNB-OBHWEXPVSA-N. The full InChI is InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+.
What are the key properties of (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene?
(3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene has a molecular weight of 272.48 g/mol, XLogP of 6.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene is sourced from PubChem (CID 5365883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).