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

C20H36O4 — CID 23382602

IUPAC2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol
SMILESOC1CCCCC1OCC1CCC(COC2CCCCC2O)CC1
InChIInChI=1S/C20H36O4/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/h15-22H,1-14H2
InChIKeyZIJRXYLCCCFQFX-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.43
Rot. Bonds6

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

2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol (PubChem CID 23382602) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol
PubChem CID23382602
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol
SMILESOC1CCCCC1OCC1CCC(COC2CCCCC2O)CC1
InChIInChI=1S/C20H36O4/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/h15-22H,1-14H2
InChIKeyZIJRXYLCCCFQFX-UHFFFAOYSA-N
XLogP3.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol?
The IUPAC name of 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol (CID 23382602) is 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol is OC1CCCCC1OCC1CCC(COC2CCCCC2O)CC1.
What is the InChIKey of 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol?
The InChIKey is ZIJRXYLCCCFQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/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/h15-22H,1-14H2.
What are the key properties of 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol?
2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol has a molecular weight of 340.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol is sourced from PubChem (CID 23382602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).