(2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol

C8H16O3 — CID 130777292

IUPAC(2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol
SMILESCCC1([C@@H](C)CO)OCCO1
InChIInChI=1S/C8H16O3/c1-3-8(7(2)6-9)10-4-5-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVVEONPXNJFQJJE-ZETCQYMHSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds3

About (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol

(2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 130777292) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol
PubChem CID130777292
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol
SMILESCCC1([C@@H](C)CO)OCCO1
InChIInChI=1S/C8H16O3/c1-3-8(7(2)6-9)10-4-5-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVVEONPXNJFQJJE-ZETCQYMHSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol (CID 130777292) is (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol is CCC1([C@@H](C)CO)OCCO1.
What is the InChIKey of (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is VVEONPXNJFQJJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-8(7(2)6-9)10-4-5-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol?
(2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 130777292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).