ethane;methylcyclohexane;prop-1-ene

C12H26 — CID 143795195

IUPACethane;methylcyclohexane;prop-1-ene
SMILESC=CC.CC.CC1CCCCC1
InChIInChI=1S/C7H14.C3H6.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h7H,2-6H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyICOFZGBAQYKEKF-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.81
Rot. Bonds

About ethane;methylcyclohexane;prop-1-ene

ethane;methylcyclohexane;prop-1-ene (PubChem CID 143795195) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is ethane;methylcyclohexane;prop-1-ene.

Molecular Properties

Compound Nameethane;methylcyclohexane;prop-1-ene
PubChem CID143795195
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Nameethane;methylcyclohexane;prop-1-ene
SMILESC=CC.CC.CC1CCCCC1
InChIInChI=1S/C7H14.C3H6.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h7H,2-6H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyICOFZGBAQYKEKF-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.81
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;methylcyclopentane;prop-1-ene
CID 142437781
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
(Z)-but-2-ene;ethane;methylcyclopentane
CID 145281333
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
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
ethane;methylcyclobutane;propane;prop-1-ene
CID 171536362
but-1-ene;ethane;methylcyclopentane
CID 153403390

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;prop-1-ene?
The IUPAC name of ethane;methylcyclohexane;prop-1-ene (CID 143795195) is ethane;methylcyclohexane;prop-1-ene.
What is the SMILES notation for ethane;methylcyclohexane;prop-1-ene?
The canonical SMILES for ethane;methylcyclohexane;prop-1-ene is C=CC.CC.CC1CCCCC1.
What is the InChIKey of ethane;methylcyclohexane;prop-1-ene?
The InChIKey is ICOFZGBAQYKEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H6.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h7H,2-6H2,1H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;methylcyclohexane;prop-1-ene?
ethane;methylcyclohexane;prop-1-ene has a molecular weight of 170.34 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;prop-1-ene is sourced from PubChem (CID 143795195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).