2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)

C26H48O6 — CID 91181772

IUPAC2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)
SMILESCC1CO1.CC1CO1.OC1CCCCC1OCC1CCC(COC2CCCCC2O)CC1
InChIInChI=1S/C20H36O4.2C3H6O/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-2-4-3/h15-22H,1-14H2;2*3H,2H2,1H3
InChIKeyJHDBEZWYDMJHRZ-UHFFFAOYSA-N
MW456.66 g/mol
LogP4.24
Rot. Bonds6

About 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)

2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane) (PubChem CID 91181772) has the molecular formula C26H48O6 and a molecular weight of 456.66 g/mol. Its IUPAC name is 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane).

Molecular Properties

Compound Name2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)
PubChem CID91181772
Molecular FormulaC26H48O6
Molecular Weight456.66 g/mol
Exact Mass456.35
IUPAC Name2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)
SMILESCC1CO1.CC1CO1.OC1CCCCC1OCC1CCC(COC2CCCCC2O)CC1
InChIInChI=1S/C20H36O4.2C3H6O/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-2-4-3/h15-22H,1-14H2;2*3H,2H2,1H3
InChIKeyJHDBEZWYDMJHRZ-UHFFFAOYSA-N
XLogP4.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.66
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)?
The IUPAC name of 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane) (CID 91181772) is 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane).
What is the SMILES notation for 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)?
The canonical SMILES for 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane) is CC1CO1.CC1CO1.OC1CCCCC1OCC1CCC(COC2CCCCC2O)CC1.
What is the InChIKey of 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)?
The InChIKey is JHDBEZWYDMJHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4.2C3H6O/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-2-4-3/h15-22H,1-14H2;2*3H,2H2,1H3.
What are the key properties of 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)?
2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane) has a molecular weight of 456.66 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane) is sourced from PubChem (CID 91181772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).