cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

C13H24O4 — CID 87835873

IUPACcyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.OCC1CCCCC1
InChIInChI=1S/C7H14O.C6H10O3/c8-6-7-4-2-1-3-5-7;1(5-3-8-5)7-2-6-4-9-6/h7-8H,1-6H2;5-6H,1-4H2
InChIKeyYLQPBCOXOOVPIM-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds5

About cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87835873) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namecyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87835873
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Namecyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.OCC1CCCCC1
InChIInChI=1S/C7H14O.C6H10O3/c8-6-7-4-2-1-3-5-7;1(5-3-8-5)7-2-6-4-9-6/h7-8H,1-6H2;5-6H,1-4H2
InChIKeyYLQPBCOXOOVPIM-UHFFFAOYSA-N
XLogP1.36
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol
CID 155137470
cyclotetradecylmethanol
CID 23468347
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane
CID 118870811
3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
CID 88965353
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87871261
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87835873) is cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.OCC1CCCCC1.
What is the InChIKey of cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is YLQPBCOXOOVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H10O3/c8-6-7-4-2-1-3-5-7;1(5-3-8-5)7-2-6-4-9-6/h7-8H,1-6H2;5-6H,1-4H2.
What are the key properties of cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 244.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87835873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).