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

C10H16O2 — CID 89411691

IUPAC(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
SMILESC=CC[C@@H]1OC(C)(C)O[C@@H]1C=C
InChIInChI=1S/C10H16O2/c1-5-7-9-8(6-2)11-10(3,4)12-9/h5-6,8-9H,1-2,7H2,3-4H3/t8-,9+/m1/s1
InChIKeyZSFVIJQFEFJYDT-BDAKNGLRSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds3

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

(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane (PubChem CID 89411691) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
PubChem CID89411691
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
SMILESC=CC[C@@H]1OC(C)(C)O[C@@H]1C=C
InChIInChI=1S/C10H16O2/c1-5-7-9-8(6-2)11-10(3,4)12-9/h5-6,8-9H,1-2,7H2,3-4H3/t8-,9+/m1/s1
InChIKeyZSFVIJQFEFJYDT-BDAKNGLRSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
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-prop-2-enyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane (CID 89411691) is (4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane is C=CC[C@@H]1OC(C)(C)O[C@@H]1C=C.
What is the InChIKey of (4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?
The InChIKey is ZSFVIJQFEFJYDT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-7-9-8(6-2)11-10(3,4)12-9/h5-6,8-9H,1-2,7H2,3-4H3/t8-,9+/m1/s1.
What are the key properties of (4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?
(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 2.27, 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-prop-2-enyl-1,3-dioxolane is sourced from PubChem (CID 89411691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).