ethane;(E)-3-methylpent-2-ene

C14H36 — CID 144523626

IUPACethane;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.CC.CC.CC.CC
InChIInChI=1S/C6H12.4C2H6/c1-4-6(3)5-2;4*1-2/h4H,5H2,1-3H3;4*1-2H3/b6-4+;;;;
InChIKeyLFOAKJVOWPSYRM-MVWLXSBUSA-N
MW204.44 g/mol
LogP6.47
Rot. Bonds1

About ethane;(E)-3-methylpent-2-ene

ethane;(E)-3-methylpent-2-ene (PubChem CID 144523626) has the molecular formula C14H36 and a molecular weight of 204.44 g/mol. Its IUPAC name is ethane;(E)-3-methylpent-2-ene.

Molecular Properties

Compound Nameethane;(E)-3-methylpent-2-ene
PubChem CID144523626
Molecular FormulaC14H36
Molecular Weight204.44 g/mol
Exact Mass204.28
IUPAC Nameethane;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.CC.CC.CC.CC
InChIInChI=1S/C6H12.4C2H6/c1-4-6(3)5-2;4*1-2/h4H,5H2,1-3H3;4*1-2H3/b6-4+;;;;
InChIKeyLFOAKJVOWPSYRM-MVWLXSBUSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.44
LogP ≤ 56.47
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

ethane;3-methylpent-2-ene;propane
CID 144514263
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
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butane;ethane;3-methylpent-2-ene
CID 145294341
3-methylpent-2-ene;zirconium
CID 174393280
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene
CID 143341985
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(E)-1-bromo-2-methylbut-1-ene
CID 14503597
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
1-bromo-2-methylbut-1-ene
CID 54097343

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-methylpent-2-ene?
The IUPAC name of ethane;(E)-3-methylpent-2-ene (CID 144523626) is ethane;(E)-3-methylpent-2-ene.
What is the SMILES notation for ethane;(E)-3-methylpent-2-ene?
The canonical SMILES for ethane;(E)-3-methylpent-2-ene is C/C=C(\C)CC.CC.CC.CC.CC.
What is the InChIKey of ethane;(E)-3-methylpent-2-ene?
The InChIKey is LFOAKJVOWPSYRM-MVWLXSBUSA-N. The full InChI is InChI=1S/C6H12.4C2H6/c1-4-6(3)5-2;4*1-2/h4H,5H2,1-3H3;4*1-2H3/b6-4+;;;;.
What are the key properties of ethane;(E)-3-methylpent-2-ene?
ethane;(E)-3-methylpent-2-ene has a molecular weight of 204.44 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-methylpent-2-ene is sourced from PubChem (CID 144523626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).