2,3-dimethylhex-2-ene;ethane

C12H28 — CID 144601748

IUPAC2,3-dimethylhex-2-ene;ethane
SMILESCC.CC.CCCC(C)=C(C)C
InChIInChI=1S/C8H16.2C2H6/c1-5-6-8(4)7(2)3;2*1-2/h5-6H2,1-4H3;2*1-2H3
InChIKeyIFUQMCWLBWDSAQ-UHFFFAOYSA-N
MW172.36 g/mol
LogP5.20
Rot. Bonds2

About 2,3-dimethylhex-2-ene;ethane

2,3-dimethylhex-2-ene;ethane (PubChem CID 144601748) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is 2,3-dimethylhex-2-ene;ethane.

Molecular Properties

Compound Name2,3-dimethylhex-2-ene;ethane
PubChem CID144601748
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Name2,3-dimethylhex-2-ene;ethane
SMILESCC.CC.CCCC(C)=C(C)C
InChIInChI=1S/C8H16.2C2H6/c1-5-6-8(4)7(2)3;2*1-2/h5-6H2,1-4H3;2*1-2H3
InChIKeyIFUQMCWLBWDSAQ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dimethylhex-2-ene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4,5-dimethyloct-4-ene
CID 12714364
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
2,3-dimethyltridec-2-ene
CID 22376033
2,3-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789
2,3,8,9-tetramethyldeca-2,8-diene
CID 14968821
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
5-methyloct-4-en-4-amine
CID 176900512
methane;2,3,7,8-tetramethylnona-2,7-diene
CID 159020428
(Z)-5,6-dimethylnon-5-en-4-one
CID 176967590
(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene
CID 145265652
9,10-dimethylundec-9-en-5-one
CID 140691978
3,4,5-trimethylocta-2,4-diene
CID 54130832

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhex-2-ene;ethane?
The IUPAC name of 2,3-dimethylhex-2-ene;ethane (CID 144601748) is 2,3-dimethylhex-2-ene;ethane.
What is the SMILES notation for 2,3-dimethylhex-2-ene;ethane?
The canonical SMILES for 2,3-dimethylhex-2-ene;ethane is CC.CC.CCCC(C)=C(C)C.
What is the InChIKey of 2,3-dimethylhex-2-ene;ethane?
The InChIKey is IFUQMCWLBWDSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2C2H6/c1-5-6-8(4)7(2)3;2*1-2/h5-6H2,1-4H3;2*1-2H3.
What are the key properties of 2,3-dimethylhex-2-ene;ethane?
2,3-dimethylhex-2-ene;ethane has a molecular weight of 172.36 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhex-2-ene;ethane is sourced from PubChem (CID 144601748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).