ethane;methylcyclobutane;propane;prop-1-ene

C13H30 — CID 171536362

IUPACethane;methylcyclobutane;propane;prop-1-ene
SMILESC=CC.CC.CC1CCC1.CCC
InChIInChI=1S/C5H10.C3H8.C3H6.C2H6/c1-5-3-2-4-5;2*1-3-2;1-2/h5H,2-4H2,1H3;3H2,1-2H3;3H,1H2,2H3;1-2H3
InChIKeyCXCNGOXFEVKMMT-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.44
Rot. Bonds

About ethane;methylcyclobutane;propane;prop-1-ene

ethane;methylcyclobutane;propane;prop-1-ene (PubChem CID 171536362) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;methylcyclobutane;propane;prop-1-ene.

Molecular Properties

Compound Nameethane;methylcyclobutane;propane;prop-1-ene
PubChem CID171536362
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;methylcyclobutane;propane;prop-1-ene
SMILESC=CC.CC.CC1CCC1.CCC
InChIInChI=1S/C5H10.C3H8.C3H6.C2H6/c1-5-3-2-4-5;2*1-3-2;1-2/h5H,2-4H2,1H3;3H2,1-2H3;3H,1H2,2H3;1-2H3
InChIKeyCXCNGOXFEVKMMT-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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ethane;methylcyclohexane;prop-1-ene
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CID 153403390
ethane;methylcyclopentane;propane
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CID 162071165
CID 162071165
ethene;methylcyclopentane;propane
CID 143370211
cyclobutane;ethane;methylcyclobutane
CID 158121682
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
ethane;methanethiol;bis(methylcyclopentane);propane
CID 162283921
1-(3-methylcyclohexyl)pentan-2-one;propane;prop-1-ene
CID 170590257
butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
CID 160734051
butane;ethane;propane;prop-1-ene
CID 143366707

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclobutane;propane;prop-1-ene?
The IUPAC name of ethane;methylcyclobutane;propane;prop-1-ene (CID 171536362) is ethane;methylcyclobutane;propane;prop-1-ene.
What is the SMILES notation for ethane;methylcyclobutane;propane;prop-1-ene?
The canonical SMILES for ethane;methylcyclobutane;propane;prop-1-ene is C=CC.CC.CC1CCC1.CCC.
What is the InChIKey of ethane;methylcyclobutane;propane;prop-1-ene?
The InChIKey is CXCNGOXFEVKMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C3H8.C3H6.C2H6/c1-5-3-2-4-5;2*1-3-2;1-2/h5H,2-4H2,1H3;3H2,1-2H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;methylcyclobutane;propane;prop-1-ene?
ethane;methylcyclobutane;propane;prop-1-ene has a molecular weight of 186.38 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclobutane;propane;prop-1-ene is sourced from PubChem (CID 171536362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).