1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane

C13H22O4 — CID 174831661

IUPAC1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane
SMILESC=COC1(O)CCCCC1.C=COCC1CO1
InChIInChI=1S/C8H14O2.C5H8O2/c1-2-10-8(9)6-4-3-5-7-8;1-2-6-3-5-4-7-5/h2,9H,1,3-7H2;2,5H,1,3-4H2
InChIKeyBUDYKASVPLJDCQ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.34
Rot. Bonds5

About 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane

1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane (PubChem CID 174831661) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane.

Molecular Properties

Compound Name1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane
PubChem CID174831661
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane
SMILESC=COC1(O)CCCCC1.C=COCC1CO1
InChIInChI=1S/C8H14O2.C5H8O2/c1-2-10-8(9)6-4-3-5-7-8;1-2-6-3-5-4-7-5/h2,9H,1,3-7H2;2,5H,1,3-4H2
InChIKeyBUDYKASVPLJDCQ-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174399004
2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
CID 15527223
2-[(1-propa-1,2-dienylcyclohexyl)oxymethyl]oxirane
CID 101456886
2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
CID 123807812
2-(2-ethenoxyethyl)oxirane
CID 54536432
2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 19096529
2-[(1-ethylcyclohexyl)oxymethyl]oxirane
CID 19817909
1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)
CID 66850804
1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
CID 151360819
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
5-O-(2-ethenoxyethyl) 4-O-(2-hydroxypropyl) 1-O,2-O-bis(oxiran-2-ylmethyl) benzene-1,2,4,5-tetracarboxylate
CID 134220698
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane?
The IUPAC name of 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane (CID 174831661) is 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane.
What is the SMILES notation for 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane?
The canonical SMILES for 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane is C=COC1(O)CCCCC1.C=COCC1CO1.
What is the InChIKey of 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane?
The InChIKey is BUDYKASVPLJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C5H8O2/c1-2-10-8(9)6-4-3-5-7-8;1-2-6-3-5-4-7-5/h2,9H,1,3-7H2;2,5H,1,3-4H2.
What are the key properties of 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane?
1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane has a molecular weight of 242.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxycyclohexan-1-ol;2-(ethenoxymethyl)oxirane is sourced from PubChem (CID 174831661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).