6-(1,3-dioxan-5-yl)hex-4-en-3-ol

C10H18O3 — CID 70612072

IUPAC6-(1,3-dioxan-5-yl)hex-4-en-3-ol
SMILESCCC(O)C=CCC1COCOC1
InChIInChI=1S/C10H18O3/c1-2-10(11)5-3-4-9-6-12-8-13-7-9/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyJBHXVJDFPPGUOM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.32
Rot. Bonds4

About 6-(1,3-dioxan-5-yl)hex-4-en-3-ol

6-(1,3-dioxan-5-yl)hex-4-en-3-ol (PubChem CID 70612072) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(1,3-dioxan-5-yl)hex-4-en-3-ol.

Molecular Properties

Compound Name6-(1,3-dioxan-5-yl)hex-4-en-3-ol
PubChem CID70612072
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-(1,3-dioxan-5-yl)hex-4-en-3-ol
SMILESCCC(O)C=CCC1COCOC1
InChIInChI=1S/C10H18O3/c1-2-10(11)5-3-4-9-6-12-8-13-7-9/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyJBHXVJDFPPGUOM-UHFFFAOYSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.32
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 6-(1,3-dioxan-5-yl)hex-4-en-3-ol?
The IUPAC name of 6-(1,3-dioxan-5-yl)hex-4-en-3-ol (CID 70612072) is 6-(1,3-dioxan-5-yl)hex-4-en-3-ol.
What is the SMILES notation for 6-(1,3-dioxan-5-yl)hex-4-en-3-ol?
The canonical SMILES for 6-(1,3-dioxan-5-yl)hex-4-en-3-ol is CCC(O)C=CCC1COCOC1.
What is the InChIKey of 6-(1,3-dioxan-5-yl)hex-4-en-3-ol?
The InChIKey is JBHXVJDFPPGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-10(11)5-3-4-9-6-12-8-13-7-9/h3,5,9-11H,2,4,6-8H2,1H3.
What are the key properties of 6-(1,3-dioxan-5-yl)hex-4-en-3-ol?
6-(1,3-dioxan-5-yl)hex-4-en-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxan-5-yl)hex-4-en-3-ol is sourced from PubChem (CID 70612072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).