3-methylideneundecane

C12H24 — CID 550798

IUPAC3-methylideneundecane
SMILESC=C(CC)CCCCCCCC
InChIInChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h3-11H2,1-2H3
InChIKeyKOGYHNNTUZDGRV-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.70
Rot. Bonds8

About 3-methylideneundecane

3-methylideneundecane (PubChem CID 550798) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3-methylideneundecane.

Molecular Properties

Compound Name3-methylideneundecane
PubChem CID550798
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3-methylideneundecane
SMILESC=C(CC)CCCCCCCC
InChIInChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h3-11H2,1-2H3
InChIKeyKOGYHNNTUZDGRV-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.70
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 3-methylideneundecane?
The IUPAC name of 3-methylideneundecane (CID 550798) is 3-methylideneundecane.
What is the SMILES notation for 3-methylideneundecane?
The canonical SMILES for 3-methylideneundecane is C=C(CC)CCCCCCCC.
What is the InChIKey of 3-methylideneundecane?
The InChIKey is KOGYHNNTUZDGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h3-11H2,1-2H3.
What are the key properties of 3-methylideneundecane?
3-methylideneundecane has a molecular weight of 168.32 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneundecane is sourced from PubChem (CID 550798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).