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

C7H12O3 — CID 69432408

IUPAC1-(1,3-dioxan-5-yl)prop-2-en-1-ol
SMILESC=CC(O)C1COCOC1
InChIInChI=1S/C7H12O3/c1-2-7(8)6-3-9-5-10-4-6/h2,6-8H,1,3-5H2
InChIKeyNSISMIXNCDZRPD-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.15
Rot. Bonds2

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

1-(1,3-dioxan-5-yl)prop-2-en-1-ol (PubChem CID 69432408) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-(1,3-dioxan-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1,3-dioxan-5-yl)prop-2-en-1-ol
PubChem CID69432408
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-(1,3-dioxan-5-yl)prop-2-en-1-ol
SMILESC=CC(O)C1COCOC1
InChIInChI=1S/C7H12O3/c1-2-7(8)6-3-9-5-10-4-6/h2,6-8H,1,3-5H2
InChIKeyNSISMIXNCDZRPD-UHFFFAOYSA-N
XLogP0.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.15
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-(1,3-dioxan-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-(1,3-dioxan-5-yl)prop-2-en-1-ol (CID 69432408) is 1-(1,3-dioxan-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1,3-dioxan-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(1,3-dioxan-5-yl)prop-2-en-1-ol is C=CC(O)C1COCOC1.
What is the InChIKey of 1-(1,3-dioxan-5-yl)prop-2-en-1-ol?
The InChIKey is NSISMIXNCDZRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-7(8)6-3-9-5-10-4-6/h2,6-8H,1,3-5H2.
What are the key properties of 1-(1,3-dioxan-5-yl)prop-2-en-1-ol?
1-(1,3-dioxan-5-yl)prop-2-en-1-ol has a molecular weight of 144.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 69432408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).