3,6-dimethylhept-1-ene

C9H18 — CID 18443713

IUPAC3,6-dimethylhept-1-ene
SMILESC=CC(C)CCC(C)C
InChIInChI=1S/C9H18/c1-5-9(4)7-6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyGNOHGCMWAHDGAT-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.24
Rot. Bonds4

About 3,6-dimethylhept-1-ene

3,6-dimethylhept-1-ene (PubChem CID 18443713) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 3,6-dimethylhept-1-ene.

Molecular Properties

Compound Name3,6-dimethylhept-1-ene
PubChem CID18443713
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name3,6-dimethylhept-1-ene
SMILESC=CC(C)CCC(C)C
InChIInChI=1S/C9H18/c1-5-9(4)7-6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyGNOHGCMWAHDGAT-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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

3,6-dimethylhept-1-ene;ethane
CID 142076338
3,6,7,10-tetramethylundec-1-ene
CID 123914302
3,8-dimethylnon-1-ene
CID 54356105
3,5,8-trimethylnon-1-ene
CID 123935828
2,5-dimethylhept-6-enal
CID 88788284
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
(3S)-3-methylhepta-1,6-diene
CID 145257056
N,5-dimethylhept-6-en-2-amine
CID 138518123
3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene
CID 87448576
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
(2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol
CID 14606279

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylhept-1-ene?
The IUPAC name of 3,6-dimethylhept-1-ene (CID 18443713) is 3,6-dimethylhept-1-ene.
What is the SMILES notation for 3,6-dimethylhept-1-ene?
The canonical SMILES for 3,6-dimethylhept-1-ene is C=CC(C)CCC(C)C.
What is the InChIKey of 3,6-dimethylhept-1-ene?
The InChIKey is GNOHGCMWAHDGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-5-9(4)7-6-8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 3,6-dimethylhept-1-ene?
3,6-dimethylhept-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylhept-1-ene is sourced from PubChem (CID 18443713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).