1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol

C15H26O4 — CID 20685099

IUPAC1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol
SMILESCCC(O)COCC1CC=CCC1COCC1CO1
InChIInChI=1S/C15H26O4/c1-2-14(16)9-17-7-12-5-3-4-6-13(12)8-18-10-15-11-19-15/h3-4,12-16H,2,5-11H2,1H3
InChIKeySXFCVMRXNRXCGT-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.77
Rot. Bonds9

About 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol

1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol (PubChem CID 20685099) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol.

Molecular Properties

Compound Name1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol
PubChem CID20685099
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol
SMILESCCC(O)COCC1CC=CCC1COCC1CO1
InChIInChI=1S/C15H26O4/c1-2-14(16)9-17-7-12-5-3-4-6-13(12)8-18-10-15-11-19-15/h3-4,12-16H,2,5-11H2,1H3
InChIKeySXFCVMRXNRXCGT-UHFFFAOYSA-N
XLogP1.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol?
The IUPAC name of 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol (CID 20685099) is 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol.
What is the SMILES notation for 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol?
The canonical SMILES for 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol is CCC(O)COCC1CC=CCC1COCC1CO1.
What is the InChIKey of 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol?
The InChIKey is SXFCVMRXNRXCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-2-14(16)9-17-7-12-5-3-4-6-13(12)8-18-10-15-11-19-15/h3-4,12-16H,2,5-11H2,1H3.
What are the key properties of 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol?
1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol has a molecular weight of 270.37 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol is sourced from PubChem (CID 20685099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).