1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol

C10H16O3 — CID 66587599

IUPAC1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol
SMILESC=CC(O)C1(C(O)C=C)CCCO1
InChIInChI=1S/C10H16O3/c1-3-8(11)10(9(12)4-2)6-5-7-13-10/h3-4,8-9,11-12H,1-2,5-7H2
InChIKeyYZJYUQYKLHHOQG-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.63
Rot. Bonds4

About 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol

1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol (PubChem CID 66587599) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol
PubChem CID66587599
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol
SMILESC=CC(O)C1(C(O)C=C)CCCO1
InChIInChI=1S/C10H16O3/c1-3-8(11)10(9(12)4-2)6-5-7-13-10/h3-4,8-9,11-12H,1-2,5-7H2
InChIKeyYZJYUQYKLHHOQG-UHFFFAOYSA-N
XLogP0.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
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 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol?
The IUPAC name of 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol (CID 66587599) is 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol is C=CC(O)C1(C(O)C=C)CCCO1.
What is the InChIKey of 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol?
The InChIKey is YZJYUQYKLHHOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-8(11)10(9(12)4-2)6-5-7-13-10/h3-4,8-9,11-12H,1-2,5-7H2.
What are the key properties of 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol?
1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol has a molecular weight of 184.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 66587599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).