(2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane

C22H42O4 — CID 151802896

IUPAC(2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane
SMILESCCCCCCCCCC(C=CCCCOC[C@H]1CO1)(OCC)OCC
InChIInChI=1S/C22H42O4/c1-4-7-8-9-10-11-13-16-22(25-5-2,26-6-3)17-14-12-15-18-23-19-21-20-24-21/h14,17,21H,4-13,15-16,18-20H2,1-3H3/t21-/m0/s1
InChIKeyRYZKWGQUMRXDBS-NRFANRHFSA-N
MW370.57 g/mol
LogP5.65
Rot. Bonds19

About (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane

(2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane (PubChem CID 151802896) has the molecular formula C22H42O4 and a molecular weight of 370.57 g/mol. Its IUPAC name is (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane
PubChem CID151802896
Molecular FormulaC22H42O4
Molecular Weight370.57 g/mol
Exact Mass370.31
IUPAC Name(2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane
SMILESCCCCCCCCCC(C=CCCCOC[C@H]1CO1)(OCC)OCC
InChIInChI=1S/C22H42O4/c1-4-7-8-9-10-11-13-16-22(25-5-2,26-6-3)17-14-12-15-18-23-19-21-20-24-21/h14,17,21H,4-13,15-16,18-20H2,1-3H3/t21-/m0/s1
InChIKeyRYZKWGQUMRXDBS-NRFANRHFSA-N
XLogP5.65
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane
CID 151265211
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
2-(pentadec-2-enoxymethyl)oxirane
CID 175115833
2-[[(Z)-octadec-9-enoxy]methyl]oxirane;1-[(Z)-octadec-9-enoxy]-3-octoxypropan-2-ol
CID 158034991
CID 166063430
CID 166063430

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane?
The IUPAC name of (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane (CID 151802896) is (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane.
What is the SMILES notation for (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane?
The canonical SMILES for (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane is CCCCCCCCCC(C=CCCCOC[C@H]1CO1)(OCC)OCC.
What is the InChIKey of (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane?
The InChIKey is RYZKWGQUMRXDBS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H42O4/c1-4-7-8-9-10-11-13-16-22(25-5-2,26-6-3)17-14-12-15-18-23-19-21-20-24-21/h14,17,21H,4-13,15-16,18-20H2,1-3H3/t21-/m0/s1.
What are the key properties of (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane?
(2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane has a molecular weight of 370.57 g/mol, XLogP of 5.65, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6,6-diethoxypentadec-4-enoxymethyl)oxirane is sourced from PubChem (CID 151802896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).