(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol

C11H20O3 — CID 11513947

IUPAC(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CCC
InChIInChI=1S/C11H20O3/c1-5-7-8(12)10-9(6-2)13-11(3,4)14-10/h6,8-10,12H,2,5,7H2,1,3-4H3/t8-,9+,10-/m1/s1
InChIKeyLOKYFUXHMHMKLW-KXUCPTDWSA-N
MW200.28 g/mol
LogP1.85
Rot. Bonds4

About (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol

(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol (PubChem CID 11513947) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
PubChem CID11513947
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CCC
InChIInChI=1S/C11H20O3/c1-5-7-8(12)10-9(6-2)13-11(3,4)14-10/h6,8-10,12H,2,5,7H2,1,3-4H3/t8-,9+,10-/m1/s1
InChIKeyLOKYFUXHMHMKLW-KXUCPTDWSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The IUPAC name of (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol (CID 11513947) is (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol.
What is the SMILES notation for (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The canonical SMILES for (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol is C=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CCC.
What is the InChIKey of (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The InChIKey is LOKYFUXHMHMKLW-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-8(12)10-9(6-2)13-11(3,4)14-10/h6,8-10,12H,2,5,7H2,1,3-4H3/t8-,9+,10-/m1/s1.
What are the key properties of (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol?
(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol is sourced from PubChem (CID 11513947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).