[(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol

C7H12O2 — CID 130762481

IUPAC[(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol
SMILESC=C(C)[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C7H12O2/c1-5(2)6-7(3,4-8)9-6/h6,8H,1,4H2,2-3H3/t6-,7-/m0/s1
InChIKeyDNPPCWBIGQWSTK-BQBZGAKWSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds2

About [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol

[(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol (PubChem CID 130762481) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol
PubChem CID130762481
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol
SMILESC=C(C)[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C7H12O2/c1-5(2)6-7(3,4-8)9-6/h6,8H,1,4H2,2-3H3/t6-,7-/m0/s1
InChIKeyDNPPCWBIGQWSTK-BQBZGAKWSA-N
XLogP0.71
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 11768585
1-(3,3-Dimethyloxiran-2-yl)-2-methylidenebut-3-en-1-ol
CID 134993047
(1S)-1-[(2R)-2-methyloxiran-2-yl]but-3-en-1-ol
CID 138977530
[(2R)-2-prop-1-en-2-yloxiran-2-yl]methanol
CID 10996997
1-(3,3-Dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 14006250
[2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol
CID 54329018
1-(2-Methyloxiran-2-yl)but-3-en-1-ol
CID 56996643
(1S)-1-(3,3-dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 57752023
2-Methyl-1-(oxiran-2-yl)prop-2-en-1-ol
CID 85552968
(3-But-1-en-2-yloxiran-2-yl)methanol
CID 90021901
[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]methanol
CID 130917648
(1S)-1-[(2S)-3,3-dimethyloxiran-2-yl]prop-2-en-1-ol
CID 10630502

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol (CID 130762481) is [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol is C=C(C)[C@@H]1O[C@@]1(C)CO.
What is the InChIKey of [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol?
The InChIKey is DNPPCWBIGQWSTK-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(2)6-7(3,4-8)9-6/h6,8H,1,4H2,2-3H3/t6-,7-/m0/s1.
What are the key properties of [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol?
[(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methanol is sourced from PubChem (CID 130762481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).