4,7-dimethylidenedecane

C12H22 — CID 543440

IUPAC4,7-dimethylidenedecane
SMILESC=C(CCC)CCC(=C)CCC
InChIInChI=1S/C12H22/c1-5-7-11(3)9-10-12(4)8-6-2/h3-10H2,1-2H3
InChIKeyREYJNRJXWJOTQR-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About 4,7-dimethylidenedecane

4,7-dimethylidenedecane (PubChem CID 543440) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4,7-dimethylidenedecane.

Molecular Properties

Compound Name4,7-dimethylidenedecane
PubChem CID543440
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4,7-dimethylidenedecane
SMILESC=C(CCC)CCC(=C)CCC
InChIInChI=1S/C12H22/c1-5-7-11(3)9-10-12(4)8-6-2/h3-10H2,1-2H3
InChIKeyREYJNRJXWJOTQR-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-2-methyl-5-methylideneoct-1-ene
CID 58962882
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
N-ethyl-N-methyl-3-methylidenehexan-1-amine
CID 126728192
4-methylideneheptanal
CID 130026370
2-methyl-4-methylidenehept-1-ene
CID 58948030
4,5-dimethylideneoctane
CID 13294231
7-methylidenedec-1-ene
CID 123417470
ethane;5-methylideneoct-1-ene;2-methylprop-1-ene
CID 142462861
N-ethyl-3-methylidene-N-propylhexan-1-amine
CID 167115733
butane;3,8-dimethylideneundecane;pentane;propane
CID 143697639
3-methylidenehexanoic acid
CID 13159263

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylidenedecane?
The IUPAC name of 4,7-dimethylidenedecane (CID 543440) is 4,7-dimethylidenedecane.
What is the SMILES notation for 4,7-dimethylidenedecane?
The canonical SMILES for 4,7-dimethylidenedecane is C=C(CCC)CCC(=C)CCC.
What is the InChIKey of 4,7-dimethylidenedecane?
The InChIKey is REYJNRJXWJOTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-7-11(3)9-10-12(4)8-6-2/h3-10H2,1-2H3.
What are the key properties of 4,7-dimethylidenedecane?
4,7-dimethylidenedecane has a molecular weight of 166.31 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylidenedecane is sourced from PubChem (CID 543440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).