2-(2-ethoxyprop-2-enyl)oxan-4-ol

C10H18O3 — CID 123508545

IUPAC2-(2-ethoxyprop-2-enyl)oxan-4-ol
SMILESC=C(CC1CC(O)CCO1)OCC
InChIInChI=1S/C10H18O3/c1-3-12-8(2)6-10-7-9(11)4-5-13-10/h9-11H,2-7H2,1H3
InChIKeyPVBOENGETSHFAH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-ethoxyprop-2-enyl)oxan-4-ol

2-(2-ethoxyprop-2-enyl)oxan-4-ol (PubChem CID 123508545) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-ethoxyprop-2-enyl)oxan-4-ol.

Molecular Properties

Compound Name2-(2-ethoxyprop-2-enyl)oxan-4-ol
PubChem CID123508545
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-ethoxyprop-2-enyl)oxan-4-ol
SMILESC=C(CC1CC(O)CCO1)OCC
InChIInChI=1S/C10H18O3/c1-3-12-8(2)6-10-7-9(11)4-5-13-10/h9-11H,2-7H2,1H3
InChIKeyPVBOENGETSHFAH-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': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(2-ethoxyprop-2-enyl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol
CID 21681679
2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol
CID 135081245
2-[(2R,4S,6R)-4-methoxy-6-prop-2-enyloxan-2-yl]ethanol
CID 145945203
4-(6-Methyl-4-methylene-3,4,5,6-tetrahydro-2H-pyran-2-yl)-1-butanol
CID 548899
(4R)-2-methylidene-6-propyloxan-4-ol
CID 59365107
2-Methylidene-6-propyloxan-4-ol
CID 59365110
6-(6-Hydroxyhept-1-en-2-yloxy)hept-6-en-2-ol
CID 88426364
7-Prop-1-en-2-yloxyheptan-3-ol
CID 88576856
(2R,4R)-2-ethyl-6-methylideneoxan-4-ol
CID 118908272
2-Methyl-6-methylideneoxan-4-ol
CID 145272174
4-(4-Methylideneoxan-2-yl)butan-1-ol
CID 10487364
(2S)-1-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]pent-4-en-2-ol
CID 16059318

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyprop-2-enyl)oxan-4-ol?
The IUPAC name of 2-(2-ethoxyprop-2-enyl)oxan-4-ol (CID 123508545) is 2-(2-ethoxyprop-2-enyl)oxan-4-ol.
What is the SMILES notation for 2-(2-ethoxyprop-2-enyl)oxan-4-ol?
The canonical SMILES for 2-(2-ethoxyprop-2-enyl)oxan-4-ol is C=C(CC1CC(O)CCO1)OCC.
What is the InChIKey of 2-(2-ethoxyprop-2-enyl)oxan-4-ol?
The InChIKey is PVBOENGETSHFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-12-8(2)6-10-7-9(11)4-5-13-10/h9-11H,2-7H2,1H3.
What are the key properties of 2-(2-ethoxyprop-2-enyl)oxan-4-ol?
2-(2-ethoxyprop-2-enyl)oxan-4-ol 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-ethoxyprop-2-enyl)oxan-4-ol is sourced from PubChem (CID 123508545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).