(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol

C7H14O2 — CID 102348877

IUPAC(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@@H]1OC1(C)C
InChIInChI=1S/C7H14O2/c1-5(8)4-6-7(2,3)9-6/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyDLPCIDFPKXERCH-WDSKDSINSA-N
MW130.19 g/mol
LogP0.93
Rot. Bonds2

About (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol

(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol (PubChem CID 102348877) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol
PubChem CID102348877
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@@H]1OC1(C)C
InChIInChI=1S/C7H14O2/c1-5(8)4-6-7(2,3)9-6/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyDLPCIDFPKXERCH-WDSKDSINSA-N
XLogP0.93
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.93
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

[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
CID 59051060
1-(3,3-dimethyloxiran-2-yl)ethanol
CID 10920486
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
CID 101088823
2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane
CID 527249
1-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
CID 20975834
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016
1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol
CID 174816188
3-[(E)-but-2-enyl]-2,2-dimethyloxirane
CID 18345585
1-(2-methyloxiran-2-yl)propan-2-ol
CID 12835187
[(3R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-methylpentyl] acetate
CID 14470430

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol (CID 102348877) is (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol is C[C@H](O)C[C@@H]1OC1(C)C.
What is the InChIKey of (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol?
The InChIKey is DLPCIDFPKXERCH-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14O2/c1-5(8)4-6-7(2,3)9-6/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol?
(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol is sourced from PubChem (CID 102348877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).