2,5-dimethylhept-2-ene;ethane

C11H24 — CID 144650208

IUPAC2,5-dimethylhept-2-ene;ethane
SMILESCC.CCC(C)CC=C(C)C
InChIInChI=1S/C9H18.C2H6/c1-5-9(4)7-6-8(2)3;1-2/h6,9H,5,7H2,1-4H3;1-2H3
InChIKeyHIBUNPLLGRDGPU-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.41
Rot. Bonds3

About 2,5-dimethylhept-2-ene;ethane

2,5-dimethylhept-2-ene;ethane (PubChem CID 144650208) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 2,5-dimethylhept-2-ene;ethane.

Molecular Properties

Compound Name2,5-dimethylhept-2-ene;ethane
PubChem CID144650208
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name2,5-dimethylhept-2-ene;ethane
SMILESCC.CCC(C)CC=C(C)C
InChIInChI=1S/C9H18.C2H6/c1-5-9(4)7-6-8(2)3;1-2/h6,9H,5,7H2,1-4H3;1-2H3
InChIKeyHIBUNPLLGRDGPU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.41
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-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Gamma-Terpinene
CID 7461
Dihydromyrcene
CID 17090
alpha-Bisabolene
CID 86597
Dihydromyrcene, (+)-
CID 10887985
2,3-Dimethyl-1,4-hexadiene
CID 5368910
Geraniolene
CID 81203
(+)-germacrene A
CID 9548705
2,6-Dimethyl-2-octene
CID 19974
1,5-Cyclooctadiene, 1,5-dimethyl-
CID 5365758

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhept-2-ene;ethane?
The IUPAC name of 2,5-dimethylhept-2-ene;ethane (CID 144650208) is 2,5-dimethylhept-2-ene;ethane.
What is the SMILES notation for 2,5-dimethylhept-2-ene;ethane?
The canonical SMILES for 2,5-dimethylhept-2-ene;ethane is CC.CCC(C)CC=C(C)C.
What is the InChIKey of 2,5-dimethylhept-2-ene;ethane?
The InChIKey is HIBUNPLLGRDGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C2H6/c1-5-9(4)7-6-8(2)3;1-2/h6,9H,5,7H2,1-4H3;1-2H3.
What are the key properties of 2,5-dimethylhept-2-ene;ethane?
2,5-dimethylhept-2-ene;ethane has a molecular weight of 156.31 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhept-2-ene;ethane is sourced from PubChem (CID 144650208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).