ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene

C19H34 — CID 143245192

IUPACethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)CC1.CC.CC1CC=CCC1
InChIInChI=1S/C10H16.C7H12.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7-5-3-2-4-6-7;1-2/h4,10H,1,5-7H2,2-3H3;2-3,7H,4-6H2,1H3;1-2H3
InChIKeyARQGQALIODXRFJ-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.70
Rot. Bonds1

About ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene

ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 143245192) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Nameethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID143245192
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Nameethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)CC1.CC.CC1CC=CCC1
InChIInChI=1S/C10H16.C7H12.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7-5-3-2-4-6-7;1-2/h4,10H,1,5-7H2,2-3H3;2-3,7H,4-6H2,1H3;1-2H3
InChIKeyARQGQALIODXRFJ-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.70
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 ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene (CID 143245192) is ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(C)CC1.CC.CC1CC=CCC1.
What is the InChIKey of ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is ARQGQALIODXRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C7H12.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7-5-3-2-4-6-7;1-2/h4,10H,1,5-7H2,2-3H3;2-3,7H,4-6H2,1H3;1-2H3.
What are the key properties of ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene?
ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 262.48 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 143245192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).