(5-prop-2-enyl-1,4-dioxan-2-yl)methanol

C8H14O3 — CID 67648613

IUPAC(5-prop-2-enyl-1,4-dioxan-2-yl)methanol
SMILESC=CCC1COC(CO)CO1
InChIInChI=1S/C8H14O3/c1-2-3-7-5-11-8(4-9)6-10-7/h2,7-9H,1,3-6H2
InChIKeyWAMRESWLEMYAFI-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.34
Rot. Bonds3

About (5-prop-2-enyl-1,4-dioxan-2-yl)methanol

(5-prop-2-enyl-1,4-dioxan-2-yl)methanol (PubChem CID 67648613) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (5-prop-2-enyl-1,4-dioxan-2-yl)methanol.

Molecular Properties

Compound Name(5-prop-2-enyl-1,4-dioxan-2-yl)methanol
PubChem CID67648613
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(5-prop-2-enyl-1,4-dioxan-2-yl)methanol
SMILESC=CCC1COC(CO)CO1
InChIInChI=1S/C8H14O3/c1-2-3-7-5-11-8(4-9)6-10-7/h2,7-9H,1,3-6H2
InChIKeyWAMRESWLEMYAFI-UHFFFAOYSA-N
XLogP0.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.34
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 (5-prop-2-enyl-1,4-dioxan-2-yl)methanol?
The IUPAC name of (5-prop-2-enyl-1,4-dioxan-2-yl)methanol (CID 67648613) is (5-prop-2-enyl-1,4-dioxan-2-yl)methanol.
What is the SMILES notation for (5-prop-2-enyl-1,4-dioxan-2-yl)methanol?
The canonical SMILES for (5-prop-2-enyl-1,4-dioxan-2-yl)methanol is C=CCC1COC(CO)CO1.
What is the InChIKey of (5-prop-2-enyl-1,4-dioxan-2-yl)methanol?
The InChIKey is WAMRESWLEMYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-7-5-11-8(4-9)6-10-7/h2,7-9H,1,3-6H2.
What are the key properties of (5-prop-2-enyl-1,4-dioxan-2-yl)methanol?
(5-prop-2-enyl-1,4-dioxan-2-yl)methanol has a molecular weight of 158.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-prop-2-enyl-1,4-dioxan-2-yl)methanol is sourced from PubChem (CID 67648613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).