ethane;(E)-5-methylhex-2-ene

C9H20 — CID 143114143

IUPACethane;(E)-5-methylhex-2-ene
SMILESC/C=C/CC(C)C.CC
InChIInChI=1S/C7H14.C2H6/c1-4-5-6-7(2)3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4+;
InChIKeyXPWLBPWYERZXRZ-FXRZFVDSSA-N
MW128.26 g/mol
LogP3.63
Rot. Bonds2

About ethane;(E)-5-methylhex-2-ene

ethane;(E)-5-methylhex-2-ene (PubChem CID 143114143) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is ethane;(E)-5-methylhex-2-ene.

Molecular Properties

Compound Nameethane;(E)-5-methylhex-2-ene
PubChem CID143114143
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Nameethane;(E)-5-methylhex-2-ene
SMILESC/C=C/CC(C)C.CC
InChIInChI=1S/C7H14.C2H6/c1-4-5-6-7(2)3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4+;
InChIKeyXPWLBPWYERZXRZ-FXRZFVDSSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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'}

Analyze ethane;(E)-5-methylhex-2-ene 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

ethane;5-methylhex-2-ene;propane
CID 143336274
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
7-methylocta-2,4-diene
CID 519923
ethane;(Z)-5-methoxyhex-2-ene
CID 145378965
5-bromohex-2-ene
CID 53438987
[(Z)-4-methylpent-1-enyl]-[(Z)-prop-1-enyl]diazene
CID 139440788
(E)-5-methylhept-2-ene
CID 5364849
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419
1-bromo-6-methylhept-3-ene
CID 79006953
(E)-2-methylhept-5-en-3-ol
CID 12592438
(E)-2,6-dimethylhept-3-ene
CID 5364654
(E)-4-methylpent-1-en-1-ol
CID 22598252

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-5-methylhex-2-ene?
The IUPAC name of ethane;(E)-5-methylhex-2-ene (CID 143114143) is ethane;(E)-5-methylhex-2-ene.
What is the SMILES notation for ethane;(E)-5-methylhex-2-ene?
The canonical SMILES for ethane;(E)-5-methylhex-2-ene is C/C=C/CC(C)C.CC.
What is the InChIKey of ethane;(E)-5-methylhex-2-ene?
The InChIKey is XPWLBPWYERZXRZ-FXRZFVDSSA-N. The full InChI is InChI=1S/C7H14.C2H6/c1-4-5-6-7(2)3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4+;.
What are the key properties of ethane;(E)-5-methylhex-2-ene?
ethane;(E)-5-methylhex-2-ene has a molecular weight of 128.26 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-5-methylhex-2-ene is sourced from PubChem (CID 143114143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).