butane;ethane;2-methylprop-1-ene

C16H42 — CID 145400808

IUPACbutane;ethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.CC.CC.CCCC
InChIInChI=1S/C4H8.C4H10.4C2H6/c1-4(2)3;1-3-4-2;4*1-2/h1H2,2-3H3;3-4H2,1-2H3;4*1-2H3
InChIKeyFJTMQMGDHWICHP-UHFFFAOYSA-N
MW234.51 g/mol
LogP7.49
Rot. Bonds1

About butane;ethane;2-methylprop-1-ene

butane;ethane;2-methylprop-1-ene (PubChem CID 145400808) has the molecular formula C16H42 and a molecular weight of 234.51 g/mol. Its IUPAC name is butane;ethane;2-methylprop-1-ene.

Molecular Properties

Compound Namebutane;ethane;2-methylprop-1-ene
PubChem CID145400808
Molecular FormulaC16H42
Molecular Weight234.51 g/mol
Exact Mass234.33
IUPAC Namebutane;ethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.CC.CC.CCCC
InChIInChI=1S/C4H8.C4H10.4C2H6/c1-4(2)3;1-3-4-2;4*1-2/h1H2,2-3H3;3-4H2,1-2H3;4*1-2H3
InChIKeyFJTMQMGDHWICHP-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.51
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-methylprop-1-ene?
The IUPAC name of butane;ethane;2-methylprop-1-ene (CID 145400808) is butane;ethane;2-methylprop-1-ene.
What is the SMILES notation for butane;ethane;2-methylprop-1-ene?
The canonical SMILES for butane;ethane;2-methylprop-1-ene is C=C(C)C.CC.CC.CC.CC.CCCC.
What is the InChIKey of butane;ethane;2-methylprop-1-ene?
The InChIKey is FJTMQMGDHWICHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C4H10.4C2H6/c1-4(2)3;1-3-4-2;4*1-2/h1H2,2-3H3;3-4H2,1-2H3;4*1-2H3.
What are the key properties of butane;ethane;2-methylprop-1-ene?
butane;ethane;2-methylprop-1-ene has a molecular weight of 234.51 g/mol, XLogP of 7.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-methylprop-1-ene is sourced from PubChem (CID 145400808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).