4,4-dimethylhept-1-ene

C9H18 — CID 14688751

IUPAC4,4-dimethylhept-1-ene
SMILESC=CCC(C)(C)CCC
InChIInChI=1S/C9H18/c1-5-7-9(3,4)8-6-2/h5H,1,6-8H2,2-4H3
InChIKeyFVBQZDZLHJUMPS-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds4

About 4,4-dimethylhept-1-ene

4,4-dimethylhept-1-ene (PubChem CID 14688751) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 4,4-dimethylhept-1-ene.

Molecular Properties

Compound Name4,4-dimethylhept-1-ene
PubChem CID14688751
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name4,4-dimethylhept-1-ene
SMILESC=CCC(C)(C)CCC
InChIInChI=1S/C9H18/c1-5-7-9(3,4)8-6-2/h5H,1,6-8H2,2-4H3
InChIKeyFVBQZDZLHJUMPS-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
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

6-Methyl-1-heptene
CID 21122
1-Heptene, 5-methyl-
CID 99888
3-Methyl-1-heptene
CID 20946
1-Hexene, 3,5,5-trimethyl-
CID 92984
1-Hexene, 5,5-dimethyl-
CID 23502
4,4-Dimethyl-1-hexene
CID 137136
3,3-Dimethyl-1-hexene
CID 137924
3,3-Dimethyl-1-heptene
CID 423787
2,4,4-Trimethyl-1-hexene
CID 142817
3,3,5-Trimethyl-1-hexene
CID 25980
3-Ethyl-3-methyl-1-pentene
CID 138683
4-Methylhept-1-ene
CID 518713

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylhept-1-ene?
The IUPAC name of 4,4-dimethylhept-1-ene (CID 14688751) is 4,4-dimethylhept-1-ene.
What is the SMILES notation for 4,4-dimethylhept-1-ene?
The canonical SMILES for 4,4-dimethylhept-1-ene is C=CCC(C)(C)CCC.
What is the InChIKey of 4,4-dimethylhept-1-ene?
The InChIKey is FVBQZDZLHJUMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-5-7-9(3,4)8-6-2/h5H,1,6-8H2,2-4H3.
What are the key properties of 4,4-dimethylhept-1-ene?
4,4-dimethylhept-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhept-1-ene is sourced from PubChem (CID 14688751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).