(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol

C10H16O2 — CID 58223659

IUPAC(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol
SMILESC=C(C)C[C@]1([C@H](O)/C=C/C)CO1
InChIInChI=1S/C10H16O2/c1-4-5-9(11)10(7-12-10)6-8(2)3/h4-5,9,11H,2,6-7H2,1,3H3/b5-4+/t9-,10-/m1/s1
InChIKeyXBPLLTDSUWPSPE-NUNSBDKSSA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds4

About (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol

(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol (PubChem CID 58223659) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol
PubChem CID58223659
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol
SMILESC=C(C)C[C@]1([C@H](O)/C=C/C)CO1
InChIInChI=1S/C10H16O2/c1-4-5-9(11)10(7-12-10)6-8(2)3/h4-5,9,11H,2,6-7H2,1,3H3/b5-4+/t9-,10-/m1/s1
InChIKeyXBPLLTDSUWPSPE-NUNSBDKSSA-N
XLogP1.66
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol?
The IUPAC name of (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol (CID 58223659) is (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol?
The canonical SMILES for (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol is C=C(C)C[C@]1([C@H](O)/C=C/C)CO1.
What is the InChIKey of (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol?
The InChIKey is XBPLLTDSUWPSPE-NUNSBDKSSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-9(11)10(7-12-10)6-8(2)3/h4-5,9,11H,2,6-7H2,1,3H3/b5-4+/t9-,10-/m1/s1.
What are the key properties of (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol?
(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol is sourced from PubChem (CID 58223659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).