(4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane

C13H24O2 — CID 10536522

IUPAC(4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCC[C@H]1OC(C)(C)O[C@@H]1CCCC
InChIInChI=1S/C13H24O2/c1-5-7-9-11-12(10-8-6-2)15-13(3,4)14-11/h5,11-12H,1,6-10H2,2-4H3/t11-,12-/m1/s1
InChIKeyFSNGKSXYSRZBJI-VXGBXAGGSA-N
MW212.33 g/mol
LogP3.66
Rot. Bonds6

About (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 10536522) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane
PubChem CID10536522
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCC[C@H]1OC(C)(C)O[C@@H]1CCCC
InChIInChI=1S/C13H24O2/c1-5-7-9-11-12(10-8-6-2)15-13(3,4)14-11/h5,11-12H,1,6-10H2,2-4H3/t11-,12-/m1/s1
InChIKeyFSNGKSXYSRZBJI-VXGBXAGGSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.66
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)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane (CID 10536522) is (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane is C=CCC[C@H]1OC(C)(C)O[C@@H]1CCCC.
What is the InChIKey of (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is FSNGKSXYSRZBJI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-7-9-11-12(10-8-6-2)15-13(3,4)14-11/h5,11-12H,1,6-10H2,2-4H3/t11-,12-/m1/s1.
What are the key properties of (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10536522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).