(4E,7E,10E)-dodeca-1,4,7,10-tetraene

C12H18 — CID 22833307

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

About (4E,7E,10E)-dodeca-1,4,7,10-tetraene

(4E,7E,10E)-dodeca-1,4,7,10-tetraene (PubChem CID 22833307) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (4E,7E,10E)-dodeca-1,4,7,10-tetraene.

Molecular Properties

Compound Name(4E,7E,10E)-dodeca-1,4,7,10-tetraene
PubChem CID22833307
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(4E,7E,10E)-dodeca-1,4,7,10-tetraene
SMILESC=CC/C=C/C/C=C/C/C=C/C
InChIInChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9-10,12H,1,5,8,11H2,2H3/b6-4+,9-7+,12-10+
InChIKeyRCRMTWBZRLYXQC-FNCTZUPOSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,7E,10E)-dodeca-1,4,7,10-tetraene?
The IUPAC name of (4E,7E,10E)-dodeca-1,4,7,10-tetraene (CID 22833307) is (4E,7E,10E)-dodeca-1,4,7,10-tetraene.
What is the SMILES notation for (4E,7E,10E)-dodeca-1,4,7,10-tetraene?
The canonical SMILES for (4E,7E,10E)-dodeca-1,4,7,10-tetraene is C=CC/C=C/C/C=C/C/C=C/C.
What is the InChIKey of (4E,7E,10E)-dodeca-1,4,7,10-tetraene?
The InChIKey is RCRMTWBZRLYXQC-FNCTZUPOSA-N. The full InChI is InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9-10,12H,1,5,8,11H2,2H3/b6-4+,9-7+,12-10+.
What are the key properties of (4E,7E,10E)-dodeca-1,4,7,10-tetraene?
(4E,7E,10E)-dodeca-1,4,7,10-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 (4E,7E,10E)-dodeca-1,4,7,10-tetraene is sourced from PubChem (CID 22833307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).