2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol

C11H18O3 — CID 138985034

IUPAC2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol
SMILESOC1CCC=C1COC1CCCCO1
InChIInChI=1S/C11H18O3/c12-10-5-3-4-9(10)8-14-11-6-1-2-7-13-11/h4,10-12H,1-3,5-8H2
InChIKeyUZDZQCWODFEGAW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds3

About 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol

2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol (PubChem CID 138985034) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol
PubChem CID138985034
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol
SMILESOC1CCC=C1COC1CCCCO1
InChIInChI=1S/C11H18O3/c12-10-5-3-4-9(10)8-14-11-6-1-2-7-13-11/h4,10-12H,1-3,5-8H2
InChIKeyUZDZQCWODFEGAW-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol?
The IUPAC name of 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol (CID 138985034) is 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol?
The canonical SMILES for 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol is OC1CCC=C1COC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol?
The InChIKey is UZDZQCWODFEGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-5-3-4-9(10)8-14-11-6-1-2-7-13-11/h4,10-12H,1-3,5-8H2.
What are the key properties of 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol?
2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxymethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 138985034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).