1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol

C10H16O3 — CID 66587713

IUPAC1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol
SMILESC=CCC1(C(O)C=C)COCOC1
InChIInChI=1S/C10H16O3/c1-3-5-10(9(11)4-2)6-12-8-13-7-10/h3-4,9,11H,1-2,5-8H2
InChIKeyBHKGPNJUZOIEAF-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds4

About 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol

1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol (PubChem CID 66587713) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol
PubChem CID66587713
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol
SMILESC=CCC1(C(O)C=C)COCOC1
InChIInChI=1S/C10H16O3/c1-3-5-10(9(11)4-2)6-12-8-13-7-10/h3-4,9,11H,1-2,5-8H2
InChIKeyBHKGPNJUZOIEAF-UHFFFAOYSA-N
XLogP1.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
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 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol (CID 66587713) is 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol is C=CCC1(C(O)C=C)COCOC1.
What is the InChIKey of 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol?
The InChIKey is BHKGPNJUZOIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-10(9(11)4-2)6-12-8-13-7-10/h3-4,9,11H,1-2,5-8H2.
What are the key properties of 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol?
1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol has a molecular weight of 184.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 66587713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).