(4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane

C11H20O2 — CID 57017871

IUPAC(4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
SMILESC=C[C@H]1OC(C)(C)O[C@H]1CC(C)C
InChIInChI=1S/C11H20O2/c1-6-9-10(7-8(2)3)13-11(4,5)12-9/h6,8-10H,1,7H2,2-5H3/t9-,10+/m1/s1
InChIKeyMIMDHNWKNJCPAR-ZJUUUORDSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds3

About (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane

(4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane (PubChem CID 57017871) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
PubChem CID57017871
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
SMILESC=C[C@H]1OC(C)(C)O[C@H]1CC(C)C
InChIInChI=1S/C11H20O2/c1-6-9-10(7-8(2)3)13-11(4,5)12-9/h6,8-10H,1,7H2,2-5H3/t9-,10+/m1/s1
InChIKeyMIMDHNWKNJCPAR-ZJUUUORDSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane (CID 57017871) is (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane is C=C[C@H]1OC(C)(C)O[C@H]1CC(C)C.
What is the InChIKey of (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is MIMDHNWKNJCPAR-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-9-10(7-8(2)3)13-11(4,5)12-9/h6,8-10H,1,7H2,2-5H3/t9-,10+/m1/s1.
What are the key properties of (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane?
(4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 57017871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).