(Z)-3,4-dimethylpent-2-ene;ethane

C9H20 — CID 143977238

IUPAC(Z)-3,4-dimethylpent-2-ene;ethane
SMILESC/C=C(/C)C(C)C.CC
InChIInChI=1S/C7H14.C2H6/c1-5-7(4)6(2)3;1-2/h5-6H,1-4H3;1-2H3/b7-5-;
InChIKeyXUAITWJKHAXRAU-YJOCEBFMSA-N
MW128.26 g/mol
LogP3.63
Rot. Bonds1

About (Z)-3,4-dimethylpent-2-ene;ethane

(Z)-3,4-dimethylpent-2-ene;ethane (PubChem CID 143977238) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is (Z)-3,4-dimethylpent-2-ene;ethane.

Molecular Properties

Compound Name(Z)-3,4-dimethylpent-2-ene;ethane
PubChem CID143977238
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name(Z)-3,4-dimethylpent-2-ene;ethane
SMILESC/C=C(/C)C(C)C.CC
InChIInChI=1S/C7H14.C2H6/c1-5-7(4)6(2)3;1-2/h5-6H,1-4H3;1-2H3/b7-5-;
InChIKeyXUAITWJKHAXRAU-YJOCEBFMSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dimethylpent-2-ene;ethane?
The IUPAC name of (Z)-3,4-dimethylpent-2-ene;ethane (CID 143977238) is (Z)-3,4-dimethylpent-2-ene;ethane.
What is the SMILES notation for (Z)-3,4-dimethylpent-2-ene;ethane?
The canonical SMILES for (Z)-3,4-dimethylpent-2-ene;ethane is C/C=C(/C)C(C)C.CC.
What is the InChIKey of (Z)-3,4-dimethylpent-2-ene;ethane?
The InChIKey is XUAITWJKHAXRAU-YJOCEBFMSA-N. The full InChI is InChI=1S/C7H14.C2H6/c1-5-7(4)6(2)3;1-2/h5-6H,1-4H3;1-2H3/b7-5-;.
What are the key properties of (Z)-3,4-dimethylpent-2-ene;ethane?
(Z)-3,4-dimethylpent-2-ene;ethane has a molecular weight of 128.26 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dimethylpent-2-ene;ethane is sourced from PubChem (CID 143977238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).