ethane;methylcyclopentane;prop-1-ene

C13H30 — CID 142437781

IUPACethane;methylcyclopentane;prop-1-ene
SMILESC=CC.CC.CC.CC1CCCC1
InChIInChI=1S/C6H12.C3H6.2C2H6/c1-6-4-2-3-5-6;1-3-2;2*1-2/h6H,2-5H2,1H3;3H,1H2,2H3;2*1-2H3
InChIKeyDXDOARLKCXIYTE-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.44
Rot. Bonds

About ethane;methylcyclopentane;prop-1-ene

ethane;methylcyclopentane;prop-1-ene (PubChem CID 142437781) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;methylcyclopentane;prop-1-ene.

Molecular Properties

Compound Nameethane;methylcyclopentane;prop-1-ene
PubChem CID142437781
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;methylcyclopentane;prop-1-ene
SMILESC=CC.CC.CC.CC1CCCC1
InChIInChI=1S/C6H12.C3H6.2C2H6/c1-6-4-2-3-5-6;1-3-2;2*1-2/h6H,2-5H2,1H3;3H,1H2,2H3;2*1-2H3
InChIKeyDXDOARLKCXIYTE-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

ethane;methylcyclohexane;prop-1-ene
CID 143795195
(Z)-but-2-ene;ethane;methylcyclopentane
CID 145281333
ethane;methylcyclobutane;propane;prop-1-ene
CID 171536362
but-1-ene;ethane;methylcyclopentane
CID 153403390
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
methylcyclopentane
CID 7296
CID 162071165
CID 162071165
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclopentane;prop-1-ene?
The IUPAC name of ethane;methylcyclopentane;prop-1-ene (CID 142437781) is ethane;methylcyclopentane;prop-1-ene.
What is the SMILES notation for ethane;methylcyclopentane;prop-1-ene?
The canonical SMILES for ethane;methylcyclopentane;prop-1-ene is C=CC.CC.CC.CC1CCCC1.
What is the InChIKey of ethane;methylcyclopentane;prop-1-ene?
The InChIKey is DXDOARLKCXIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H6.2C2H6/c1-6-4-2-3-5-6;1-3-2;2*1-2/h6H,2-5H2,1H3;3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;methylcyclopentane;prop-1-ene?
ethane;methylcyclopentane;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;methylcyclopentane;prop-1-ene is sourced from PubChem (CID 142437781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).