(3E,6E,10E)-dodeca-1,3,6,10-tetraene

C12H18 — CID 22236753

IUPAC(3E,6E,10E)-dodeca-1,3,6,10-tetraene
SMILESC=C/C=C/C/C=C/CC/C=C/C
InChIInChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-7,11-12H,1,8-10H2,2H3/b6-4+,7-5+,12-11+
InChIKeyATGMONWNTWAVCU-SJZBDCFKSA-N
MW162.28 g/mol
LogP4.03
Rot. Bonds6

About (3E,6E,10E)-dodeca-1,3,6,10-tetraene

(3E,6E,10E)-dodeca-1,3,6,10-tetraene (PubChem CID 22236753) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (3E,6E,10E)-dodeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name(3E,6E,10E)-dodeca-1,3,6,10-tetraene
PubChem CID22236753
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(3E,6E,10E)-dodeca-1,3,6,10-tetraene
SMILESC=C/C=C/C/C=C/CC/C=C/C
InChIInChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-7,11-12H,1,8-10H2,2H3/b6-4+,7-5+,12-11+
InChIKeyATGMONWNTWAVCU-SJZBDCFKSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-dodeca-1,3,6,10-tetraene?
The IUPAC name of (3E,6E,10E)-dodeca-1,3,6,10-tetraene (CID 22236753) is (3E,6E,10E)-dodeca-1,3,6,10-tetraene.
What is the SMILES notation for (3E,6E,10E)-dodeca-1,3,6,10-tetraene?
The canonical SMILES for (3E,6E,10E)-dodeca-1,3,6,10-tetraene is C=C/C=C/C/C=C/CC/C=C/C.
What is the InChIKey of (3E,6E,10E)-dodeca-1,3,6,10-tetraene?
The InChIKey is ATGMONWNTWAVCU-SJZBDCFKSA-N. The full InChI is InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-7,11-12H,1,8-10H2,2H3/b6-4+,7-5+,12-11+.
What are the key properties of (3E,6E,10E)-dodeca-1,3,6,10-tetraene?
(3E,6E,10E)-dodeca-1,3,6,10-tetraene has a molecular weight of 162.28 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,10E)-dodeca-1,3,6,10-tetraene is sourced from PubChem (CID 22236753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).