2,2-dimethyl-3-(tetradecoxymethyl)oxirane

C19H38O2 — CID 19694596

IUPAC2,2-dimethyl-3-(tetradecoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCOCC1OC1(C)C
InChIInChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-19(2,3)21-18/h18H,4-17H2,1-3H3
InChIKeySHTDNHWQPXUDID-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.88
Rot. Bonds15

About 2,2-dimethyl-3-(tetradecoxymethyl)oxirane

2,2-dimethyl-3-(tetradecoxymethyl)oxirane (PubChem CID 19694596) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2,2-dimethyl-3-(tetradecoxymethyl)oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-(tetradecoxymethyl)oxirane
PubChem CID19694596
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name2,2-dimethyl-3-(tetradecoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCOCC1OC1(C)C
InChIInChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-19(2,3)21-18/h18H,4-17H2,1-3H3
InChIKeySHTDNHWQPXUDID-UHFFFAOYSA-N
XLogP5.88
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.88
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 2,2-dimethyl-3-(tetradecoxymethyl)oxirane?
The IUPAC name of 2,2-dimethyl-3-(tetradecoxymethyl)oxirane (CID 19694596) is 2,2-dimethyl-3-(tetradecoxymethyl)oxirane.
What is the SMILES notation for 2,2-dimethyl-3-(tetradecoxymethyl)oxirane?
The canonical SMILES for 2,2-dimethyl-3-(tetradecoxymethyl)oxirane is CCCCCCCCCCCCCCOCC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(tetradecoxymethyl)oxirane?
The InChIKey is SHTDNHWQPXUDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-19(2,3)21-18/h18H,4-17H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(tetradecoxymethyl)oxirane?
2,2-dimethyl-3-(tetradecoxymethyl)oxirane has a molecular weight of 298.51 g/mol, XLogP of 5.88, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(tetradecoxymethyl)oxirane is sourced from PubChem (CID 19694596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).