(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol

C8H14O2 — CID 10606844

IUPAC(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol
SMILESCC[C@H]1O[C@]1(C)/C=C/CO
InChIInChI=1S/C8H14O2/c1-3-7-8(2,10-7)5-4-6-9/h4-5,7,9H,3,6H2,1-2H3/b5-4+/t7-,8-/m1/s1
InChIKeyVTIHBVCUYWWOCI-IVZJMYDKSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds3

About (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol

(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol (PubChem CID 10606844) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol
PubChem CID10606844
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol
SMILESCC[C@H]1O[C@]1(C)/C=C/CO
InChIInChI=1S/C8H14O2/c1-3-7-8(2,10-7)5-4-6-9/h4-5,7,9H,3,6H2,1-2H3/b5-4+/t7-,8-/m1/s1
InChIKeyVTIHBVCUYWWOCI-IVZJMYDKSA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
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)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol (CID 10606844) is (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol is CC[C@H]1O[C@]1(C)/C=C/CO.
What is the InChIKey of (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol?
The InChIKey is VTIHBVCUYWWOCI-IVZJMYDKSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7-8(2,10-7)5-4-6-9/h4-5,7,9H,3,6H2,1-2H3/b5-4+/t7-,8-/m1/s1.
What are the key properties of (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol?
(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 10606844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).