(4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane

C11H18O2 — CID 89411644

IUPAC(4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CC(C)[C@H]1OC(C)(C)O[C@H]1C=C
InChIInChI=1S/C11H18O2/c1-6-8(3)10-9(7-2)12-11(4,5)13-10/h6-10H,1-2H2,3-5H3/t8?,9-,10+/m0/s1
InChIKeyOVFNVJMMWSIDKN-CBMCFHRWSA-N
MW182.26 g/mol
LogP2.51
Rot. Bonds3

About (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane

(4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 89411644) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane
PubChem CID89411644
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CC(C)[C@H]1OC(C)(C)O[C@H]1C=C
InChIInChI=1S/C11H18O2/c1-6-8(3)10-9(7-2)12-11(4,5)13-10/h6-10H,1-2H2,3-5H3/t8?,9-,10+/m0/s1
InChIKeyOVFNVJMMWSIDKN-CBMCFHRWSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.51
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-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane (CID 89411644) is (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane is C=CC(C)[C@H]1OC(C)(C)O[C@H]1C=C.
What is the InChIKey of (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is OVFNVJMMWSIDKN-CBMCFHRWSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-8(3)10-9(7-2)12-11(4,5)13-10/h6-10H,1-2H2,3-5H3/t8?,9-,10+/m0/s1.
What are the key properties of (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
(4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 89411644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).