1-(2-cyclohexyl-2-methoxyethyl)cyclohexene

C15H26O — CID 102578705

IUPAC1-(2-cyclohexyl-2-methoxyethyl)cyclohexene
SMILESCOC(CC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26O/c1-16-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h8,14-15H,2-7,9-12H2,1H3
InChIKeyPZDFINDUUQPECY-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.47
Rot. Bonds4

About 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene

1-(2-cyclohexyl-2-methoxyethyl)cyclohexene (PubChem CID 102578705) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-methoxyethyl)cyclohexene
PubChem CID102578705
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(2-cyclohexyl-2-methoxyethyl)cyclohexene
SMILESCOC(CC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26O/c1-16-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h8,14-15H,2-7,9-12H2,1H3
InChIKeyPZDFINDUUQPECY-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene?
The IUPAC name of 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene (CID 102578705) is 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene.
What is the SMILES notation for 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene?
The canonical SMILES for 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene is COC(CC1=CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene?
The InChIKey is PZDFINDUUQPECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-16-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h8,14-15H,2-7,9-12H2,1H3.
What are the key properties of 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene?
1-(2-cyclohexyl-2-methoxyethyl)cyclohexene has a molecular weight of 222.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-methoxyethyl)cyclohexene is sourced from PubChem (CID 102578705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).