butane;ethane;3-methylpent-2-ene

C14H34 — CID 145294341

IUPACbutane;ethane;3-methylpent-2-ene
SMILESCC.CC.CC=C(C)CC.CCCC
InChIInChI=1S/C6H12.C4H10.2C2H6/c1-4-6(3)5-2;1-3-4-2;2*1-2/h4H,5H2,1-3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyUJIBGUOZMMSECW-UHFFFAOYSA-N
MW202.43 g/mol
LogP6.22
Rot. Bonds2

About butane;ethane;3-methylpent-2-ene

butane;ethane;3-methylpent-2-ene (PubChem CID 145294341) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is butane;ethane;3-methylpent-2-ene.

Molecular Properties

Compound Namebutane;ethane;3-methylpent-2-ene
PubChem CID145294341
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Namebutane;ethane;3-methylpent-2-ene
SMILESCC.CC.CC=C(C)CC.CCCC
InChIInChI=1S/C6H12.C4H10.2C2H6/c1-4-6(3)5-2;1-3-4-2;2*1-2/h4H,5H2,1-3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyUJIBGUOZMMSECW-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.43
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;ethane;3-methylpent-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;(E)-3-methylpent-2-ene
CID 144523626
ethane;3-methylpent-2-ene;propane
CID 144514263
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
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
butane;bis(butan-2-one);but-2-ene
CID 158283643
butane;ethane;2-methylbut-1-ene
CID 142050807
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
butane;ethane;2-methylprop-1-ene
CID 142168819

Frequently Asked Questions

What is the IUPAC name of butane;ethane;3-methylpent-2-ene?
The IUPAC name of butane;ethane;3-methylpent-2-ene (CID 145294341) is butane;ethane;3-methylpent-2-ene.
What is the SMILES notation for butane;ethane;3-methylpent-2-ene?
The canonical SMILES for butane;ethane;3-methylpent-2-ene is CC.CC.CC=C(C)CC.CCCC.
What is the InChIKey of butane;ethane;3-methylpent-2-ene?
The InChIKey is UJIBGUOZMMSECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H10.2C2H6/c1-4-6(3)5-2;1-3-4-2;2*1-2/h4H,5H2,1-3H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;3-methylpent-2-ene?
butane;ethane;3-methylpent-2-ene has a molecular weight of 202.43 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;3-methylpent-2-ene is sourced from PubChem (CID 145294341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).