2,3-dimethylpent-2-ene;ethane

C9H20 — CID 90691784

IUPAC2,3-dimethylpent-2-ene;ethane
SMILESCC.CCC(C)=C(C)C
InChIInChI=1S/C7H14.C2H6/c1-5-7(4)6(2)3;1-2/h5H2,1-4H3;1-2H3
InChIKeyMHTAJSKGHHWLMU-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.78
Rot. Bonds1

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

2,3-dimethylpent-2-ene;ethane (PubChem CID 90691784) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 2,3-dimethylpent-2-ene;ethane.

Molecular Properties

Compound Name2,3-dimethylpent-2-ene;ethane
PubChem CID90691784
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name2,3-dimethylpent-2-ene;ethane
SMILESCC.CCC(C)=C(C)C
InChIInChI=1S/C7H14.C2H6/c1-5-7(4)6(2)3;1-2/h5H2,1-4H3;1-2H3
InChIKeyMHTAJSKGHHWLMU-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dimethylpent-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

2,3,4-Trimethylpent-2-ene
CID 11270
2,3-Dimethyl-2-hexene
CID 23528
2,3-Dimethyl-2-pentene
CID 25403
(E)-3,4-Dimethylhex-3-ene
CID 3034312
2,6-Dimethyl-2,5-heptadiene
CID 521945
3,4-Diethyl-3-hexene
CID 136668
2-Heptene, 2,3-dimethyl-
CID 137816
3-Ethyl-2-methyl-2-pentene
CID 140592
(Z)-3,4-dimethylhex-3-ene
CID 3034311
3-Hexene, 2,3,4,5-tetramethyl-, (Z)-
CID 3036382
3-Hexene, 3-ethyl-4-methyl-
CID 142781
(E)-2,3-Di-tert-butyl-2-butene
CID 638064

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpent-2-ene;ethane?
The IUPAC name of 2,3-dimethylpent-2-ene;ethane (CID 90691784) is 2,3-dimethylpent-2-ene;ethane.
What is the SMILES notation for 2,3-dimethylpent-2-ene;ethane?
The canonical SMILES for 2,3-dimethylpent-2-ene;ethane is CC.CCC(C)=C(C)C.
What is the InChIKey of 2,3-dimethylpent-2-ene;ethane?
The InChIKey is MHTAJSKGHHWLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2H6/c1-5-7(4)6(2)3;1-2/h5H2,1-4H3;1-2H3.
What are the key properties of 2,3-dimethylpent-2-ene;ethane?
2,3-dimethylpent-2-ene;ethane has a molecular weight of 128.26 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpent-2-ene;ethane is sourced from PubChem (CID 90691784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).