9-methylundeca-1,3,7,10-tetraene

C12H18 — CID 154197788

IUPAC9-methylundeca-1,3,7,10-tetraene
SMILESC=CC=CCCC=CC(C)C=C
InChIInChI=1S/C12H18/c1-4-6-7-8-9-10-11-12(3)5-2/h4-7,10-12H,1-2,8-9H2,3H3
InChIKeyCHSSTCIOCPPLKB-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.89
Rot. Bonds6

About 9-methylundeca-1,3,7,10-tetraene

9-methylundeca-1,3,7,10-tetraene (PubChem CID 154197788) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 9-methylundeca-1,3,7,10-tetraene.

Molecular Properties

Compound Name9-methylundeca-1,3,7,10-tetraene
PubChem CID154197788
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name9-methylundeca-1,3,7,10-tetraene
SMILESC=CC=CCCC=CC(C)C=C
InChIInChI=1S/C12H18/c1-4-6-7-8-9-10-11-12(3)5-2/h4-7,10-12H,1-2,8-9H2,3H3
InChIKeyCHSSTCIOCPPLKB-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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 9-methylundeca-1,3,7,10-tetraene?
The IUPAC name of 9-methylundeca-1,3,7,10-tetraene (CID 154197788) is 9-methylundeca-1,3,7,10-tetraene.
What is the SMILES notation for 9-methylundeca-1,3,7,10-tetraene?
The canonical SMILES for 9-methylundeca-1,3,7,10-tetraene is C=CC=CCCC=CC(C)C=C.
What is the InChIKey of 9-methylundeca-1,3,7,10-tetraene?
The InChIKey is CHSSTCIOCPPLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-6-7-8-9-10-11-12(3)5-2/h4-7,10-12H,1-2,8-9H2,3H3.
What are the key properties of 9-methylundeca-1,3,7,10-tetraene?
9-methylundeca-1,3,7,10-tetraene has a molecular weight of 162.28 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylundeca-1,3,7,10-tetraene is sourced from PubChem (CID 154197788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).