(3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane

C12H20O3 — CID 71352416

IUPAC(3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane
SMILESC=CC[C@@H]1CCOC[C@H]1CC1OCCO1
InChIInChI=1S/C12H20O3/c1-2-3-10-4-5-13-9-11(10)8-12-14-6-7-15-12/h2,10-12H,1,3-9H2/t10-,11-/m1/s1
InChIKeyZLFMDGJPMUUHHZ-GHMZBOCLSA-N
MW212.29 g/mol
LogP1.98
Rot. Bonds4

About (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane

(3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane (PubChem CID 71352416) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane.

Molecular Properties

Compound Name(3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane
PubChem CID71352416
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane
SMILESC=CC[C@@H]1CCOC[C@H]1CC1OCCO1
InChIInChI=1S/C12H20O3/c1-2-3-10-4-5-13-9-11(10)8-12-14-6-7-15-12/h2,10-12H,1,3-9H2/t10-,11-/m1/s1
InChIKeyZLFMDGJPMUUHHZ-GHMZBOCLSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane 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-(Cyclohex-3-en-1-yl)-1,3-dioxolane
CID 241098
2-(1-Methoxyhex-5-en-3-yl)-1,3-dioxolane
CID 17960478
2-(2-Ethenylhept-6-enyl)-1,3-dioxolane
CID 14732297
2-(Cyclohex-3-en-1-ylmethyl)-4,4,5,5-tetramethyl-1,3-dioxolane
CID 101789306
(3S,4S)-3-(1,3-dioxolan-2-ylmethyl)-4-[(Z)-prop-1-enyl]oxane
CID 135069177
(3S,4R,5R)-3-(1,3-dioxolan-2-ylmethyl)-5-methyl-4-(2-methylprop-1-enyl)oxane
CID 135069178
2-(6-Methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 230184
2-[(1R,2S)-2-prop-2-enylcyclohexyl]-1,3-dioxolane
CID 14587791
2-Hept-1-en-4-yl-1,3-dioxolane
CID 20642883
6-(Prop-2-en-1-yl)-1,4,8-trioxaspiro[4.5]decane
CID 66579448
(2S,3S,5S)-5-(butoxymethyl)-2-methoxy-3-prop-2-enyloxolane
CID 66693853
2-(2-Propan-2-ylbut-3-enyl)-1,3-dioxolane
CID 164781594

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane?
The IUPAC name of (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane (CID 71352416) is (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane.
What is the SMILES notation for (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane?
The canonical SMILES for (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane is C=CC[C@@H]1CCOC[C@H]1CC1OCCO1.
What is the InChIKey of (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane?
The InChIKey is ZLFMDGJPMUUHHZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-3-10-4-5-13-9-11(10)8-12-14-6-7-15-12/h2,10-12H,1,3-9H2/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane?
(3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane has a molecular weight of 212.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane is sourced from PubChem (CID 71352416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).