butane;ethane;5-methylhept-1-ene

C14H32 — CID 143370195

IUPACbutane;ethane;5-methylhept-1-ene
SMILESC=CCCC(C)CC.CC.CCCC
InChIInChI=1S/C8H16.C4H10.C2H6/c1-4-6-7-8(3)5-2;1-3-4-2;1-2/h4,8H,1,5-7H2,2-3H3;3-4H2,1-2H3;1-2H3
InChIKeyXYUBHCHATLPUMY-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.83
Rot. Bonds5

About butane;ethane;5-methylhept-1-ene

butane;ethane;5-methylhept-1-ene (PubChem CID 143370195) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is butane;ethane;5-methylhept-1-ene.

Molecular Properties

Compound Namebutane;ethane;5-methylhept-1-ene
PubChem CID143370195
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Namebutane;ethane;5-methylhept-1-ene
SMILESC=CCCC(C)CC.CC.CCCC
InChIInChI=1S/C8H16.C4H10.C2H6/c1-4-6-7-8(3)5-2;1-3-4-2;1-2/h4,8H,1,5-7H2,2-3H3;3-4H2,1-2H3;1-2H3
InChIKeyXYUBHCHATLPUMY-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;ethane;5-methylhept-1-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;4-methylocta-1,7-diene
CID 144616064
14-methylhexadec-1-ene
CID 86185732
11-methyltridec-1-ene
CID 528465
2-methyl-N,N-dipropylhex-5-en-1-amine
CID 143366711
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162195902
(5S,8R)-8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162701561
(3S,5R)-5-methylnon-8-en-3-ol
CID 129386423
(5S)-6-iodo-5-methylhex-1-ene
CID 14470371
5,9,10-trimethyldodec-1-ene
CID 123401596
N-ethyl-7-methylnon-1-en-5-amine
CID 104987440

Frequently Asked Questions

What is the IUPAC name of butane;ethane;5-methylhept-1-ene?
The IUPAC name of butane;ethane;5-methylhept-1-ene (CID 143370195) is butane;ethane;5-methylhept-1-ene.
What is the SMILES notation for butane;ethane;5-methylhept-1-ene?
The canonical SMILES for butane;ethane;5-methylhept-1-ene is C=CCCC(C)CC.CC.CCCC.
What is the InChIKey of butane;ethane;5-methylhept-1-ene?
The InChIKey is XYUBHCHATLPUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C4H10.C2H6/c1-4-6-7-8(3)5-2;1-3-4-2;1-2/h4,8H,1,5-7H2,2-3H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;5-methylhept-1-ene?
butane;ethane;5-methylhept-1-ene has a molecular weight of 200.41 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;5-methylhept-1-ene is sourced from PubChem (CID 143370195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).