(S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol

C6H10O2 — CID 88929555

IUPAC(S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol
SMILESO[C@@H](C1CC1)[C@H]1CO1
InChIInChI=1S/C6H10O2/c7-6(4-1-2-4)5-3-8-5/h4-7H,1-3H2/t5-,6+/m1/s1
InChIKeyCIIQKGZXFHPNLP-RITPCOANSA-N
MW114.14 g/mol
LogP0.16
Rot. Bonds2

About (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol

(S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol (PubChem CID 88929555) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol.

Molecular Properties

Compound Name(S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol
PubChem CID88929555
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol
SMILESO[C@@H](C1CC1)[C@H]1CO1
InChIInChI=1S/C6H10O2/c7-6(4-1-2-4)5-3-8-5/h4-7H,1-3H2/t5-,6+/m1/s1
InChIKeyCIIQKGZXFHPNLP-RITPCOANSA-N
XLogP0.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol?
The IUPAC name of (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol (CID 88929555) is (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol.
What is the SMILES notation for (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol?
The canonical SMILES for (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol is O[C@@H](C1CC1)[C@H]1CO1.
What is the InChIKey of (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol?
The InChIKey is CIIQKGZXFHPNLP-RITPCOANSA-N. The full InChI is InChI=1S/C6H10O2/c7-6(4-1-2-4)5-3-8-5/h4-7H,1-3H2/t5-,6+/m1/s1.
What are the key properties of (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol?
(S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol has a molecular weight of 114.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol is sourced from PubChem (CID 88929555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).