2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol

C10H18O2 — CID 170847950

IUPAC2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol
SMILESC=CC(C)(C)[C@@H]1O[C@H]1C(C)(C)O
InChIInChI=1S/C10H18O2/c1-6-9(2,3)7-8(12-7)10(4,5)11/h6-8,11H,1H2,2-5H3/t7-,8-/m1/s1
InChIKeyVTEWMIWIBPKPBL-HTQZYQBOSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds3

About 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol

2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol (PubChem CID 170847950) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol
PubChem CID170847950
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol
SMILESC=CC(C)(C)[C@@H]1O[C@H]1C(C)(C)O
InChIInChI=1S/C10H18O2/c1-6-9(2,3)7-8(12-7)10(4,5)11/h6-8,11H,1H2,2-5H3/t7-,8-/m1/s1
InChIKeyVTEWMIWIBPKPBL-HTQZYQBOSA-N
XLogP1.74
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
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

2-[3-(2-Methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol
CID 170848052
2-(3,3-Dimethyloxiran-2-yl)pent-4-en-2-ol
CID 170847998
2-Ethyl-2-[4-(oxiran-2-yl)hepta-1,6-dien-4-yloxymethyl]propane-1,3-diol
CID 20141193
1-(2,3-Dimethyloxiran-2-yl)but-3-ene-1,1-diol
CID 141408305
4-(Oxiran-2-yl)oct-1-en-4-ol
CID 176106028
(1S)-1-[(2S,3S)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol
CID 10773219
(1R)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol
CID 10820822
(1S)-1-[(2R,3R)-3-tert-butyloxiran-2-yl]prop-2-en-1-ol
CID 10844638
2-Methyl-1-(3-methyloxiran-2-yl)but-3-en-1-ol
CID 13663480
1-(2-Methyl-3-prop-2-enyloxiran-2-yl)ethanol
CID 13840575
[(2S,3S)-3-[(2R)-but-3-en-2-yl]-2-methyloxiran-2-yl]methanol
CID 21779057
(3R,4S)-3-methoxy-2-methylhept-6-ene-2,4-diol
CID 53260656

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol (CID 170847950) is 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol is C=CC(C)(C)[C@@H]1O[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol?
The InChIKey is VTEWMIWIBPKPBL-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-9(2,3)7-8(12-7)10(4,5)11/h6-8,11H,1H2,2-5H3/t7-,8-/m1/s1.
What are the key properties of 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol?
2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-(2-methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol is sourced from PubChem (CID 170847950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).