[5-(prop-2-enoxymethyl)oxolan-2-yl]methanol

C9H16O3 — CID 12888746

IUPAC[5-(prop-2-enoxymethyl)oxolan-2-yl]methanol
SMILESC=CCOCC1CCC(CO)O1
InChIInChI=1S/C9H16O3/c1-2-5-11-7-9-4-3-8(6-10)12-9/h2,8-10H,1,3-7H2
InChIKeyPGRKUAWSCLOASZ-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.73
Rot. Bonds5

About [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol

[5-(prop-2-enoxymethyl)oxolan-2-yl]methanol (PubChem CID 12888746) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(prop-2-enoxymethyl)oxolan-2-yl]methanol
PubChem CID12888746
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[5-(prop-2-enoxymethyl)oxolan-2-yl]methanol
SMILESC=CCOCC1CCC(CO)O1
InChIInChI=1S/C9H16O3/c1-2-5-11-7-9-4-3-8(6-10)12-9/h2,8-10H,1,3-7H2
InChIKeyPGRKUAWSCLOASZ-UHFFFAOYSA-N
XLogP0.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol (CID 12888746) is [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol is C=CCOCC1CCC(CO)O1.
What is the InChIKey of [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol?
The InChIKey is PGRKUAWSCLOASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-5-11-7-9-4-3-8(6-10)12-9/h2,8-10H,1,3-7H2.
What are the key properties of [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol?
[5-(prop-2-enoxymethyl)oxolan-2-yl]methanol has a molecular weight of 172.22 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(prop-2-enoxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 12888746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).