(2S,3S)-3-propan-2-yloxolan-2-ol

C7H14O2 — CID 138639961

IUPAC(2S,3S)-3-propan-2-yloxolan-2-ol
SMILESCC(C)[C@@H]1CCO[C@@H]1O
InChIInChI=1S/C7H14O2/c1-5(2)6-3-4-9-7(6)8/h5-8H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeySFYQYJZDIZXILR-BQBZGAKWSA-N
MW130.19 g/mol
LogP1.00
Rot. Bonds1

About (2S,3S)-3-propan-2-yloxolan-2-ol

(2S,3S)-3-propan-2-yloxolan-2-ol (PubChem CID 138639961) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S,3S)-3-propan-2-yloxolan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-propan-2-yloxolan-2-ol
PubChem CID138639961
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2S,3S)-3-propan-2-yloxolan-2-ol
SMILESCC(C)[C@@H]1CCO[C@@H]1O
InChIInChI=1S/C7H14O2/c1-5(2)6-3-4-9-7(6)8/h5-8H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeySFYQYJZDIZXILR-BQBZGAKWSA-N
XLogP1.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-propan-2-yloxolan-2-ol?
The IUPAC name of (2S,3S)-3-propan-2-yloxolan-2-ol (CID 138639961) is (2S,3S)-3-propan-2-yloxolan-2-ol.
What is the SMILES notation for (2S,3S)-3-propan-2-yloxolan-2-ol?
The canonical SMILES for (2S,3S)-3-propan-2-yloxolan-2-ol is CC(C)[C@@H]1CCO[C@@H]1O.
What is the InChIKey of (2S,3S)-3-propan-2-yloxolan-2-ol?
The InChIKey is SFYQYJZDIZXILR-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O2/c1-5(2)6-3-4-9-7(6)8/h5-8H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-3-propan-2-yloxolan-2-ol?
(2S,3S)-3-propan-2-yloxolan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-propan-2-yloxolan-2-ol is sourced from PubChem (CID 138639961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).