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

C12H20O4 — CID 11310734

IUPAC(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](/C=C/[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O4/c1-11(2)13-7-9(15-11)5-6-10-8-14-12(3,4)16-10/h5-6,9-10H,7-8H2,1-4H3/b6-5+/t9-,10+
InChIKeyOJKJTRYVWJHGDH-MQQIIUIWSA-N
MW228.29 g/mol
LogP1.85
Rot. Bonds2

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

(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11310734) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11310734
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](/C=C/[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O4/c1-11(2)13-7-9(15-11)5-6-10-8-14-12(3,4)16-10/h5-6,9-10H,7-8H2,1-4H3/b6-5+/t9-,10+
InChIKeyOJKJTRYVWJHGDH-MQQIIUIWSA-N
XLogP1.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane (CID 11310734) is (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](/C=C/[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is OJKJTRYVWJHGDH-MQQIIUIWSA-N. The full InChI is InChI=1S/C12H20O4/c1-11(2)13-7-9(15-11)5-6-10-8-14-12(3,4)16-10/h5-6,9-10H,7-8H2,1-4H3/b6-5+/t9-,10+.
What are the key properties of (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 228.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11310734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).