(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane

C19H30O2 — CID 15293543

IUPAC(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
SMILESCCCCCCCCC[C@]1(COCc2ccccc2)CO1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-11-14-19(17-21-19)16-20-15-18-12-9-8-10-13-18/h8-10,12-13H,2-7,11,14-17H2,1H3/t19-/m0/s1
InChIKeyXLVNRQUYVFKZHQ-IBGZPJMESA-N
MW290.45 g/mol
LogP5.11
Rot. Bonds12

About (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane

(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane (PubChem CID 15293543) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
PubChem CID15293543
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
SMILESCCCCCCCCC[C@]1(COCc2ccccc2)CO1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-11-14-19(17-21-19)16-20-15-18-12-9-8-10-13-18/h8-10,12-13H,2-7,11,14-17H2,1H3/t19-/m0/s1
InChIKeyXLVNRQUYVFKZHQ-IBGZPJMESA-N
XLogP5.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-nonyl-2-(phenylmethoxymethyl)oxirane?
The IUPAC name of (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane (CID 15293543) is (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane.
What is the SMILES notation for (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane?
The canonical SMILES for (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane is CCCCCCCCC[C@]1(COCc2ccccc2)CO1.
What is the InChIKey of (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane?
The InChIKey is XLVNRQUYVFKZHQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-4-5-6-7-11-14-19(17-21-19)16-20-15-18-12-9-8-10-13-18/h8-10,12-13H,2-7,11,14-17H2,1H3/t19-/m0/s1.
What are the key properties of (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane?
(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane has a molecular weight of 290.45 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane is sourced from PubChem (CID 15293543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).