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

C20H38O4 — CID 151265211

IUPAC(2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane
SMILESCCCCCCCCCC(C=CCCCOC[C@H]1CO1)(OC)OC
InChIInChI=1S/C20H38O4/c1-4-5-6-7-8-9-11-14-20(21-2,22-3)15-12-10-13-16-23-17-19-18-24-19/h12,15,19H,4-11,13-14,16-18H2,1-3H3/t19-/m0/s1
InChIKeyNVENAWWMEGKSEU-IBGZPJMESA-N
MW342.52 g/mol
LogP4.87
Rot. Bonds17

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

(2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane (PubChem CID 151265211) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is (2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane
PubChem CID151265211
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name(2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane
SMILESCCCCCCCCCC(C=CCCCOC[C@H]1CO1)(OC)OC
InChIInChI=1S/C20H38O4/c1-4-5-6-7-8-9-11-14-20(21-2,22-3)15-12-10-13-16-23-17-19-18-24-19/h12,15,19H,4-11,13-14,16-18H2,1-3H3/t19-/m0/s1
InChIKeyNVENAWWMEGKSEU-IBGZPJMESA-N
XLogP4.87
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.87
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-diethoxypentadec-4-enoxymethyl)oxirane
CID 151802896
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-dimethoxypentadec-4-enoxymethyl)oxirane?
The IUPAC name of (2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane (CID 151265211) is (2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane.
What is the SMILES notation for (2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane?
The canonical SMILES for (2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane is CCCCCCCCCC(C=CCCCOC[C@H]1CO1)(OC)OC.
What is the InChIKey of (2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane?
The InChIKey is NVENAWWMEGKSEU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H38O4/c1-4-5-6-7-8-9-11-14-20(21-2,22-3)15-12-10-13-16-23-17-19-18-24-19/h12,15,19H,4-11,13-14,16-18H2,1-3H3/t19-/m0/s1.
What are the key properties of (2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane?
(2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane has a molecular weight of 342.52 g/mol, XLogP of 4.87, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6,6-dimethoxypentadec-4-enoxymethyl)oxirane is sourced from PubChem (CID 151265211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).