(4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane

C12H20O2 — CID 10607944

IUPAC(4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
SMILESC=CC1(CCC(=C)C)O[C@H](C)[C@@H](C)O1
InChIInChI=1S/C12H20O2/c1-6-12(8-7-9(2)3)13-10(4)11(5)14-12/h6,10-11H,1-2,7-8H2,3-5H3/t10-,11-/m1/s1
InChIKeyALZHZBPWBSNKKY-GHMZBOCLSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds4

About (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane

(4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane (PubChem CID 10607944) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
PubChem CID10607944
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
SMILESC=CC1(CCC(=C)C)O[C@H](C)[C@@H](C)O1
InChIInChI=1S/C12H20O2/c1-6-12(8-7-9(2)3)13-10(4)11(5)14-12/h6,10-11H,1-2,7-8H2,3-5H3/t10-,11-/m1/s1
InChIKeyALZHZBPWBSNKKY-GHMZBOCLSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane?
The IUPAC name of (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane (CID 10607944) is (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane is C=CC1(CCC(=C)C)O[C@H](C)[C@@H](C)O1.
What is the InChIKey of (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane?
The InChIKey is ALZHZBPWBSNKKY-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20O2/c1-6-12(8-7-9(2)3)13-10(4)11(5)14-12/h6,10-11H,1-2,7-8H2,3-5H3/t10-,11-/m1/s1.
What are the key properties of (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane?
(4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-ethenyl-4,5-dimethyl-2-(3-methylbut-3-enyl)-1,3-dioxolane is sourced from PubChem (CID 10607944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).