(4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane

C13H22O4 — CID 154585823

IUPAC(4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C\[C@@]2(C)COC(C)(C)O2)O1
InChIInChI=1S/C13H22O4/c1-11(2)14-8-10(16-11)6-7-13(5)9-15-12(3,4)17-13/h6-7,10H,8-9H2,1-5H3/b7-6-/t10-,13-/m0/s1
InChIKeyAYDSLNMMDSHPQC-AKFPGXAZSA-N
MW242.31 g/mol
LogP2.24
Rot. Bonds2

About (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane

(4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane (PubChem CID 154585823) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane
PubChem CID154585823
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C\[C@@]2(C)COC(C)(C)O2)O1
InChIInChI=1S/C13H22O4/c1-11(2)14-8-10(16-11)6-7-13(5)9-15-12(3,4)17-13/h6-7,10H,8-9H2,1-5H3/b7-6-/t10-,13-/m0/s1
InChIKeyAYDSLNMMDSHPQC-AKFPGXAZSA-N
XLogP2.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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 (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane (CID 154585823) is (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane is CC1(C)OC[C@H](/C=C\[C@@]2(C)COC(C)(C)O2)O1.
What is the InChIKey of (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane?
The InChIKey is AYDSLNMMDSHPQC-AKFPGXAZSA-N. The full InChI is InChI=1S/C13H22O4/c1-11(2)14-8-10(16-11)6-7-13(5)9-15-12(3,4)17-13/h6-7,10H,8-9H2,1-5H3/b7-6-/t10-,13-/m0/s1.
What are the key properties of (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane?
(4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane has a molecular weight of 242.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2,4-trimethyl-1,3-dioxolane is sourced from PubChem (CID 154585823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).