2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol

C10H18O3 — CID 54073643

IUPAC2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol
SMILESC=CC1OCCC(CC)(CCO)O1
InChIInChI=1S/C10H18O3/c1-3-9-12-8-6-10(4-2,13-9)5-7-11/h3,9,11H,1,4-8H2,2H3
InChIKeyMIEVKWALVRSNIL-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol

2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol (PubChem CID 54073643) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol
PubChem CID54073643
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol
SMILESC=CC1OCCC(CC)(CCO)O1
InChIInChI=1S/C10H18O3/c1-3-9-12-8-6-10(4-2,13-9)5-7-11/h3,9,11H,1,4-8H2,2H3
InChIKeyMIEVKWALVRSNIL-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol?
The IUPAC name of 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol (CID 54073643) is 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol.
What is the SMILES notation for 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol?
The canonical SMILES for 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol is C=CC1OCCC(CC)(CCO)O1.
What is the InChIKey of 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol?
The InChIKey is MIEVKWALVRSNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-9-12-8-6-10(4-2,13-9)5-7-11/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol?
2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol is sourced from PubChem (CID 54073643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).