butane;ethane;(E)-hex-2-ene

C14H34 — CID 143010099

IUPACbutane;ethane;(E)-hex-2-ene
SMILESC/C=C/CCC.CC.CC.CCCC
InChIInChI=1S/C6H12.C4H10.2C2H6/c1-3-5-6-4-2;1-3-4-2;2*1-2/h3,5H,4,6H2,1-2H3;3-4H2,1-2H3;2*1-2H3/b5-3+;;;
InChIKeyQRYRTOQIPATUBL-PTPDRMABSA-N
MW202.43 g/mol
LogP6.22
Rot. Bonds3

About butane;ethane;(E)-hex-2-ene

butane;ethane;(E)-hex-2-ene (PubChem CID 143010099) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is butane;ethane;(E)-hex-2-ene.

Molecular Properties

Compound Namebutane;ethane;(E)-hex-2-ene
PubChem CID143010099
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Namebutane;ethane;(E)-hex-2-ene
SMILESC/C=C/CCC.CC.CC.CCCC
InChIInChI=1S/C6H12.C4H10.2C2H6/c1-3-5-6-4-2;1-3-4-2;2*1-2/h3,5H,4,6H2,1-2H3;3-4H2,1-2H3;2*1-2H3/b5-3+;;;
InChIKeyQRYRTOQIPATUBL-PTPDRMABSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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;(E)-hex-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)-hex-2-ene
CID 142405633
(6Z)-deca-2,6-diene
CID 159397578
but-2-ene;hex-2-ene;oct-4-ene;ruthenium
CID 161087465
(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene
CID 173035981
hexane;(Z)-hex-2-ene
CID 159343029
ethane;(E)-oct-4-ene
CID 142055407
acetic acid;(E)-hex-2-ene
CID 174958018
hex-2-ene;3-methylpentane
CID 161117572
acetaldehyde;hexane;bis((E)-hex-2-ene);pentane
CID 160632813
carbamic acid;(E)-hex-2-ene
CID 174912639
(2Z,4Z,6E)-deca-2,4,6-triene;ethane;methane
CID 178167851
(Z)-oct-2-ene
CID 5356796

Frequently Asked Questions

What is the IUPAC name of butane;ethane;(E)-hex-2-ene?
The IUPAC name of butane;ethane;(E)-hex-2-ene (CID 143010099) is butane;ethane;(E)-hex-2-ene.
What is the SMILES notation for butane;ethane;(E)-hex-2-ene?
The canonical SMILES for butane;ethane;(E)-hex-2-ene is C/C=C/CCC.CC.CC.CCCC.
What is the InChIKey of butane;ethane;(E)-hex-2-ene?
The InChIKey is QRYRTOQIPATUBL-PTPDRMABSA-N. The full InChI is InChI=1S/C6H12.C4H10.2C2H6/c1-3-5-6-4-2;1-3-4-2;2*1-2/h3,5H,4,6H2,1-2H3;3-4H2,1-2H3;2*1-2H3/b5-3+;;;.
What are the key properties of butane;ethane;(E)-hex-2-ene?
butane;ethane;(E)-hex-2-ene has a molecular weight of 202.43 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;(E)-hex-2-ene is sourced from PubChem (CID 143010099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).