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

C9H16O3 — CID 11240748

IUPAC2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1CCO
InChIInChI=1S/C9H16O3/c1-4-7-8(5-6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyZGIROSVQTHFTGE-YUMQZZPRSA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds3

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

2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 11240748) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID11240748
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1CCO
InChIInChI=1S/C9H16O3/c1-4-7-8(5-6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyZGIROSVQTHFTGE-YUMQZZPRSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.07
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 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 11240748) is 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is C=C[C@@H]1OC(C)(C)O[C@H]1CCO.
What is the InChIKey of 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is ZGIROSVQTHFTGE-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-7-8(5-6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 11240748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).