cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol

C14H24O2 — CID 70902715

IUPACcyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol
SMILESCC1CCC(OC(O)C2=CCCCC2)CC1
InChIInChI=1S/C14H24O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h5,11,13-15H,2-4,6-10H2,1H3
InChIKeyLMBKTOBHJMXUEG-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.40
Rot. Bonds3

About cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol

cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol (PubChem CID 70902715) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol.

Molecular Properties

Compound Namecyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol
PubChem CID70902715
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namecyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol
SMILESCC1CCC(OC(O)C2=CCCCC2)CC1
InChIInChI=1S/C14H24O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h5,11,13-15H,2-4,6-10H2,1H3
InChIKeyLMBKTOBHJMXUEG-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol?
The IUPAC name of cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol (CID 70902715) is cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol.
What is the SMILES notation for cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol?
The canonical SMILES for cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol is CC1CCC(OC(O)C2=CCCCC2)CC1.
What is the InChIKey of cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol?
The InChIKey is LMBKTOBHJMXUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h5,11,13-15H,2-4,6-10H2,1H3.
What are the key properties of cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol?
cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol has a molecular weight of 224.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(4-methylcyclohexyl)oxymethanol is sourced from PubChem (CID 70902715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).