9-methylundec-3-ene

C12H24 — CID 550666

IUPAC9-methylundec-3-ene
SMILESCCC=CCCCCC(C)CC
InChIInChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyRTETXCZSLJTHLA-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds7

About 9-methylundec-3-ene

9-methylundec-3-ene (PubChem CID 550666) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 9-methylundec-3-ene.

Molecular Properties

Compound Name9-methylundec-3-ene
PubChem CID550666
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name9-methylundec-3-ene
SMILESCCC=CCCCCC(C)CC
InChIInChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyRTETXCZSLJTHLA-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 9-methylundec-3-ene?
The IUPAC name of 9-methylundec-3-ene (CID 550666) is 9-methylundec-3-ene.
What is the SMILES notation for 9-methylundec-3-ene?
The canonical SMILES for 9-methylundec-3-ene is CCC=CCCCCC(C)CC.
What is the InChIKey of 9-methylundec-3-ene?
The InChIKey is RTETXCZSLJTHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 9-methylundec-3-ene?
9-methylundec-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylundec-3-ene is sourced from PubChem (CID 550666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).