(1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol

C7H14O2 — CID 88929556

IUPAC(1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol
SMILESCC(C)(C)[C@H](O)[C@H]1CO1
InChIInChI=1S/C7H14O2/c1-7(2,3)6(8)5-4-9-5/h5-6,8H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyQEKXTZAXJWVFRN-PHDIDXHHSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol

(1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol (PubChem CID 88929556) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol
PubChem CID88929556
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol
SMILESCC(C)(C)[C@H](O)[C@H]1CO1
InChIInChI=1S/C7H14O2/c1-7(2,3)6(8)5-4-9-5/h5-6,8H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyQEKXTZAXJWVFRN-PHDIDXHHSA-N
XLogP0.79
TPSA32.76 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 ≤ 50.79
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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Related Compounds

1-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanol
CID 111479
2-Methoxy-4,4-dimethylpentan-1-ol
CID 59351982
(3-Propan-2-yloxiran-2-yl)methanol
CID 13260750
(1S)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol
CID 11789183
(1S)-1-(3,3-dimethyloxiran-2-yl)ethanol
CID 57751993
(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol
CID 10582772
(1S)-1-[(2R)-oxiran-2-yl]propan-1-ol
CID 11170928
[(2S,3R)-3-propan-2-yloxiran-2-yl]methanol
CID 11286458
[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]methanol
CID 11829405
1-(2-Methyloxiran-2-yl)propan-1-ol
CID 12865500
(3-Tert-butyloxiran-2-yl)methanol
CID 13446403
(2R,3R)-2-Methyl-3-propyloxiranemethanol
CID 14959484

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol?
The IUPAC name of (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol (CID 88929556) is (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol?
The canonical SMILES for (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol is CC(C)(C)[C@H](O)[C@H]1CO1.
What is the InChIKey of (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol?
The InChIKey is QEKXTZAXJWVFRN-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2,3)6(8)5-4-9-5/h5-6,8H,4H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol?
(1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol is sourced from PubChem (CID 88929556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).