[(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol

C9H16O2 — CID 141317703

IUPAC[(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol
SMILESC=CC1O[C@@]1(CO)CCCC
InChIInChI=1S/C9H16O2/c1-3-5-6-9(7-10)8(4-2)11-9/h4,8,10H,2-3,5-7H2,1H3/t8?,9-/m1/s1
InChIKeyKPNYHXDBPGMFTI-YGPZHTELSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds5

About [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol

[(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol (PubChem CID 141317703) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol
PubChem CID141317703
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol
SMILESC=CC1O[C@@]1(CO)CCCC
InChIInChI=1S/C9H16O2/c1-3-5-6-9(7-10)8(4-2)11-9/h4,8,10H,2-3,5-7H2,1H3/t8?,9-/m1/s1
InChIKeyKPNYHXDBPGMFTI-YGPZHTELSA-N
XLogP1.49
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
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 [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol?
The IUPAC name of [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol (CID 141317703) is [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol?
The canonical SMILES for [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol is C=CC1O[C@@]1(CO)CCCC.
What is the InChIKey of [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol?
The InChIKey is KPNYHXDBPGMFTI-YGPZHTELSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-9(7-10)8(4-2)11-9/h4,8,10H,2-3,5-7H2,1H3/t8?,9-/m1/s1.
What are the key properties of [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol?
[(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol is sourced from PubChem (CID 141317703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).