2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol

C9H18O3 — CID 71353718

IUPAC2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol
SMILESCCC1(CC)OC[C@@H](CCO)O1
InChIInChI=1S/C9H18O3/c1-3-9(4-2)11-7-8(12-9)5-6-10/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZFLMDSXNYOCQST-MRVPVSSYSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds4

About 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol

2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 71353718) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID71353718
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol
SMILESCCC1(CC)OC[C@@H](CCO)O1
InChIInChI=1S/C9H18O3/c1-3-9(4-2)11-7-8(12-9)5-6-10/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZFLMDSXNYOCQST-MRVPVSSYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol (CID 71353718) is 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol is CCC1(CC)OC[C@@H](CCO)O1.
What is the InChIKey of 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is ZFLMDSXNYOCQST-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-9(4-2)11-7-8(12-9)5-6-10/h8,10H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol?
2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 71353718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).