2,4-dimethyl-6-methylidenenon-3-ene

C12H22 — CID 123168107

IUPAC2,4-dimethyl-6-methylidenenon-3-ene
SMILESC=C(CCC)CC(C)=CC(C)C
InChIInChI=1S/C12H22/c1-6-7-11(4)9-12(5)8-10(2)3/h8,10H,4,6-7,9H2,1-3,5H3
InChIKeyLAWXXQQCWHVZJA-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds5

About 2,4-dimethyl-6-methylidenenon-3-ene

2,4-dimethyl-6-methylidenenon-3-ene (PubChem CID 123168107) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-methylidenenon-3-ene.

Molecular Properties

Compound Name2,4-dimethyl-6-methylidenenon-3-ene
PubChem CID123168107
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2,4-dimethyl-6-methylidenenon-3-ene
SMILESC=C(CCC)CC(C)=CC(C)C
InChIInChI=1S/C12H22/c1-6-7-11(4)9-12(5)8-10(2)3/h8,10H,4,6-7,9H2,1-3,5H3
InChIKeyLAWXXQQCWHVZJA-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-methylidenehept-1-ene
CID 58948030
(Z)-2,4-dimethylhex-3-ene
CID 5463169
3-methyl-5-methylidenenon-2-ene
CID 86209707
3-methyl-5-methylidenedec-2-ene
CID 172548284
3,5-dimethylhex-3-enamide
CID 76566666
4-methyl-7-methylidenedec-4-ene
CID 173283032
4,7-dimethylidenedecane
CID 543440
2,4-dimethylpent-2-en-1-ol
CID 54511819
3-methylidenehexanoic acid
CID 13159263
azane;2-methyl-4-propylhept-3-ene;hydrochloride
CID 175053238
(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
CID 102247681
methyl 2-acetyl-4-methylideneheptanoate
CID 14194541

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-methylidenenon-3-ene?
The IUPAC name of 2,4-dimethyl-6-methylidenenon-3-ene (CID 123168107) is 2,4-dimethyl-6-methylidenenon-3-ene.
What is the SMILES notation for 2,4-dimethyl-6-methylidenenon-3-ene?
The canonical SMILES for 2,4-dimethyl-6-methylidenenon-3-ene is C=C(CCC)CC(C)=CC(C)C.
What is the InChIKey of 2,4-dimethyl-6-methylidenenon-3-ene?
The InChIKey is LAWXXQQCWHVZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-7-11(4)9-12(5)8-10(2)3/h8,10H,4,6-7,9H2,1-3,5H3.
What are the key properties of 2,4-dimethyl-6-methylidenenon-3-ene?
2,4-dimethyl-6-methylidenenon-3-ene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-methylidenenon-3-ene is sourced from PubChem (CID 123168107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).