4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane

C19H34O5 — CID 22644383

IUPAC4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.OC1CCC(CC2CCC(O)CC2)CC1
InChIInChI=1S/C13H24O2.C6H10O3/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1(5-3-8-5)7-2-6-4-9-6/h10-15H,1-9H2;5-6H,1-4H2
InChIKeyMOFLBPRLYFQULC-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.28
Rot. Bonds6

About 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane

4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 22644383) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID22644383
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.OC1CCC(CC2CCC(O)CC2)CC1
InChIInChI=1S/C13H24O2.C6H10O3/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1(5-3-8-5)7-2-6-4-9-6/h10-15H,1-9H2;5-6H,1-4H2
InChIKeyMOFLBPRLYFQULC-UHFFFAOYSA-N
XLogP2.28
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane with MolForge

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Related Compounds

(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
CID 88965353
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87835873
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
4-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 116928530

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 22644383) is 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.OC1CCC(CC2CCC(O)CC2)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is MOFLBPRLYFQULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C6H10O3/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1(5-3-8-5)7-2-6-4-9-6/h10-15H,1-9H2;5-6H,1-4H2.
What are the key properties of 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?
4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 342.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 22644383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).