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

C10H16O4 — CID 66587700

IUPAC1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol
SMILESC=CC(O)C1(C(O)C=C)COCOC1
InChIInChI=1S/C10H16O4/c1-3-8(11)10(9(12)4-2)5-13-7-14-6-10/h3-4,8-9,11-12H,1-2,5-7H2
InChIKeyPGWNCMPBKTZHAF-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.07
Rot. Bonds4

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

1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol (PubChem CID 66587700) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol
PubChem CID66587700
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol
SMILESC=CC(O)C1(C(O)C=C)COCOC1
InChIInChI=1S/C10H16O4/c1-3-8(11)10(9(12)4-2)5-13-7-14-6-10/h3-4,8-9,11-12H,1-2,5-7H2
InChIKeyPGWNCMPBKTZHAF-UHFFFAOYSA-N
XLogP0.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol?
The IUPAC name of 1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol (CID 66587700) is 1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol is C=CC(O)C1(C(O)C=C)COCOC1.
What is the InChIKey of 1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol?
The InChIKey is PGWNCMPBKTZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-8(11)10(9(12)4-2)5-13-7-14-6-10/h3-4,8-9,11-12H,1-2,5-7H2.
What are the key properties of 1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol?
1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol has a molecular weight of 200.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol is sourced from PubChem (CID 66587700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).