(1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol

C9H16O2 — CID 10820822

IUPAC(1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1O[C@@H]1C(C)(C)C
InChIInChI=1S/C9H16O2/c1-5-6(10)7-8(11-7)9(2,3)4/h5-8,10H,1H2,2-4H3/t6-,7-,8+/m1/s1
InChIKeyQMYZZKQUPXTKTR-PRJMDXOYSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds2

About (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol

(1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol (PubChem CID 10820822) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol
PubChem CID10820822
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1O[C@@H]1C(C)(C)C
InChIInChI=1S/C9H16O2/c1-5-6(10)7-8(11-7)9(2,3)4/h5-8,10H,1H2,2-4H3/t6-,7-,8+/m1/s1
InChIKeyQMYZZKQUPXTKTR-PRJMDXOYSA-N
XLogP1.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
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

(Z,2R)-5-(2,3-dimethyloxiran-2-yl)-6,6-dimethylhept-3-ene-2,5-diol
CID 134854683
2-[3-(2-Methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol
CID 170848052
2-Ethoxy-4,4-dimethylhepta-1,6-dien-3-ol
CID 86074072
(Z)-5-(2,3-dimethyloxiran-2-yl)-6,6-dimethylhept-3-ene-2,5-diol
CID 134896140
1-(3,3-Dimethyloxiran-2-yl)-2-methylidenebut-3-en-1-ol
CID 134993047
(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol
CID 135038994
2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol
CID 170847950
2-(3,3-Dimethyloxiran-2-yl)pent-4-en-2-ol
CID 170847998
1-(3,3-Dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 14006250
2-Ethyl-2-[4-(oxiran-2-yl)hepta-1,6-dien-4-yloxymethyl]propane-1,3-diol
CID 20141193
(E,1S)-1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol
CID 57752019
(1S)-1-(3,3-dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 57752023

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol (CID 10820822) is (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@H]1O[C@@H]1C(C)(C)C.
What is the InChIKey of (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol?
The InChIKey is QMYZZKQUPXTKTR-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-6(10)7-8(11-7)9(2,3)4/h5-8,10H,1H2,2-4H3/t6-,7-,8+/m1/s1.
What are the key properties of (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol?
(1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 10820822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).