(2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane

C13H22O4 — CID 134855847

IUPAC(2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane
SMILESC[C@H]1OCC[C@@H](/C=C\C[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C13H22O4/c1-10-14-8-7-11(16-10)5-4-6-12-9-15-13(2,3)17-12/h4-5,10-12H,6-9H2,1-3H3/b5-4-/t10-,11+,12-/m0/s1
InChIKeyZQXJDNUBXNLCGG-LNDCSFGSSA-N
MW242.31 g/mol
LogP2.24
Rot. Bonds3

About (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane

(2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane (PubChem CID 134855847) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name(2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane
PubChem CID134855847
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane
SMILESC[C@H]1OCC[C@@H](/C=C\C[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C13H22O4/c1-10-14-8-7-11(16-10)5-4-6-12-9-15-13(2,3)17-12/h4-5,10-12H,6-9H2,1-3H3/b5-4-/t10-,11+,12-/m0/s1
InChIKeyZQXJDNUBXNLCGG-LNDCSFGSSA-N
XLogP2.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane 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

(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
2H-Pyran-2-methanol, 3-(acetyloxy)-6-ethoxy-3,6-dihydro-, acetate
CID 349896
[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
CID 16758931
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407
2,3-Dehydrobrevicomin
CID 125991
6,8-Dioxabicyclo[3.2.1]oct-3-ene
CID 557134
beta-D-Erythro-Hex-2-enopyranoside, methyl 2,3-dideoxy-, diacetate
CID 567640
[(2R,3S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897405
((2R,3S)-3-Acetoxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 101013575
[(2R,3S,6R)-2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
CID 9548537

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane?
The IUPAC name of (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane (CID 134855847) is (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane.
What is the SMILES notation for (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane?
The canonical SMILES for (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane is C[C@H]1OCC[C@@H](/C=C\C[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane?
The InChIKey is ZQXJDNUBXNLCGG-LNDCSFGSSA-N. The full InChI is InChI=1S/C13H22O4/c1-10-14-8-7-11(16-10)5-4-6-12-9-15-13(2,3)17-12/h4-5,10-12H,6-9H2,1-3H3/b5-4-/t10-,11+,12-/m0/s1.
What are the key properties of (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane?
(2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane has a molecular weight of 242.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2-methyl-1,3-dioxane is sourced from PubChem (CID 134855847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).