3-methylideneundec-1-ene

C12H22 — CID 12723056

IUPAC3-methylideneundec-1-ene
SMILESC=CC(=C)CCCCCCCC
InChIInChI=1S/C12H22/c1-4-6-7-8-9-10-11-12(3)5-2/h5H,2-4,6-11H2,1H3
InChIKeyQTDJGMASLANMQP-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds8

About 3-methylideneundec-1-ene

3-methylideneundec-1-ene (PubChem CID 12723056) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-methylideneundec-1-ene.

Molecular Properties

Compound Name3-methylideneundec-1-ene
PubChem CID12723056
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-methylideneundec-1-ene
SMILESC=CC(=C)CCCCCCCC
InChIInChI=1S/C12H22/c1-4-6-7-8-9-10-11-12(3)5-2/h5H,2-4,6-11H2,1H3
InChIKeyQTDJGMASLANMQP-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylideneundec-1-ene?
The IUPAC name of 3-methylideneundec-1-ene (CID 12723056) is 3-methylideneundec-1-ene.
What is the SMILES notation for 3-methylideneundec-1-ene?
The canonical SMILES for 3-methylideneundec-1-ene is C=CC(=C)CCCCCCCC.
What is the InChIKey of 3-methylideneundec-1-ene?
The InChIKey is QTDJGMASLANMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-7-8-9-10-11-12(3)5-2/h5H,2-4,6-11H2,1H3.
What are the key properties of 3-methylideneundec-1-ene?
3-methylideneundec-1-ene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneundec-1-ene is sourced from PubChem (CID 12723056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).