butane;methylcyclobutane;methylcyclopropane

C18H38 — CID 158686716

IUPACbutane;methylcyclobutane;methylcyclopropane
SMILESCC1CC1.CC1CCC1.CC1CCC1.CCCC
InChIInChI=1S/2C5H10.C4H8.C4H10/c2*1-5-3-2-4-5;1-4-2-3-4;1-3-4-2/h2*5H,2-4H2,1H3;4H,2-3H2,1H3;3-4H2,1-2H3
InChIKeyIFVHOVADUIUORT-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.84
Rot. Bonds1

About butane;methylcyclobutane;methylcyclopropane

butane;methylcyclobutane;methylcyclopropane (PubChem CID 158686716) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is butane;methylcyclobutane;methylcyclopropane.

Molecular Properties

Compound Namebutane;methylcyclobutane;methylcyclopropane
PubChem CID158686716
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Namebutane;methylcyclobutane;methylcyclopropane
SMILESCC1CC1.CC1CCC1.CC1CCC1.CCCC
InChIInChI=1S/2C5H10.C4H8.C4H10/c2*1-5-3-2-4-5;1-4-2-3-4;1-3-4-2/h2*5H,2-4H2,1H3;4H,2-3H2,1H3;3-4H2,1-2H3
InChIKeyIFVHOVADUIUORT-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;methylcyclobutane;methylcyclopropane?
The IUPAC name of butane;methylcyclobutane;methylcyclopropane (CID 158686716) is butane;methylcyclobutane;methylcyclopropane.
What is the SMILES notation for butane;methylcyclobutane;methylcyclopropane?
The canonical SMILES for butane;methylcyclobutane;methylcyclopropane is CC1CC1.CC1CCC1.CC1CCC1.CCCC.
What is the InChIKey of butane;methylcyclobutane;methylcyclopropane?
The InChIKey is IFVHOVADUIUORT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.C4H8.C4H10/c2*1-5-3-2-4-5;1-4-2-3-4;1-3-4-2/h2*5H,2-4H2,1H3;4H,2-3H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;methylcyclobutane;methylcyclopropane?
butane;methylcyclobutane;methylcyclopropane has a molecular weight of 254.50 g/mol, XLogP of 6.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methylcyclobutane;methylcyclopropane is sourced from PubChem (CID 158686716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).