(1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol

C7H14O2 — CID 11051683

IUPAC(1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@@]1(CC)CO1
InChIInChI=1S/C7H14O2/c1-3-6(8)7(4-2)5-9-7/h6,8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyORQVPVZPLXCUIB-NKWVEPMBSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds3

About (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol

(1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol (PubChem CID 11051683) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol
PubChem CID11051683
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@@]1(CC)CO1
InChIInChI=1S/C7H14O2/c1-3-6(8)7(4-2)5-9-7/h6,8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyORQVPVZPLXCUIB-NKWVEPMBSA-N
XLogP0.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.94
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 (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol (CID 11051683) is (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol is CC[C@H](O)[C@@]1(CC)CO1.
What is the InChIKey of (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol?
The InChIKey is ORQVPVZPLXCUIB-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-6(8)7(4-2)5-9-7/h6,8H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol?
(1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol is sourced from PubChem (CID 11051683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).