(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol

C7H12O2 — CID 11768585

IUPAC(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol
SMILESC=C(C)[C@@H](O)[C@]1(C)CO1
InChIInChI=1S/C7H12O2/c1-5(2)6(8)7(3)4-9-7/h6,8H,1,4H2,2-3H3/t6-,7+/m1/s1
InChIKeyWQKCTQAVFDXVCE-RQJHMYQMSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds2

About (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol

(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol (PubChem CID 11768585) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol
PubChem CID11768585
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol
SMILESC=C(C)[C@@H](O)[C@]1(C)CO1
InChIInChI=1S/C7H12O2/c1-5(2)6(8)7(3)4-9-7/h6,8H,1,4H2,2-3H3/t6-,7+/m1/s1
InChIKeyWQKCTQAVFDXVCE-RQJHMYQMSA-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

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
(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-en-1-ol
CID 14565784
(1S,2R)-2-methyl-1-[(2S)-oxiran-2-yl]but-3-en-1-ol
CID 15939151
1-(3,3-Dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 14006250
3-Methyl-1-(oxiran-2-yl)but-3-en-1-ol
CID 23045518
[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
(4R)-4-methylhex-1-ene-2,3,4-triol
CID 89028718
[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]methanol
CID 130917648

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol (CID 11768585) is (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol is C=C(C)[C@@H](O)[C@]1(C)CO1.
What is the InChIKey of (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol?
The InChIKey is WQKCTQAVFDXVCE-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(2)6(8)7(3)4-9-7/h6,8H,1,4H2,2-3H3/t6-,7+/m1/s1.
What are the key properties of (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol?
(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol 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 (1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11768585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).