2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane

C19H38O6 — CID 150291237

IUPAC2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane
SMILESCCCCCCCCC(OCCCOCC1CO1)C(OC)(OC)OC
InChIInChI=1S/C19H38O6/c1-5-6-7-8-9-10-12-18(19(20-2,21-3)22-4)24-14-11-13-23-15-17-16-25-17/h17-18H,5-16H2,1-4H3
InChIKeyGHQANDPLGYAJBR-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.52
Rot. Bonds18

About 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane

2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane (PubChem CID 150291237) has the molecular formula C19H38O6 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane
PubChem CID150291237
Molecular FormulaC19H38O6
Molecular Weight362.51 g/mol
Exact Mass362.27
IUPAC Name2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane
SMILESCCCCCCCCC(OCCCOCC1CO1)C(OC)(OC)OC
InChIInChI=1S/C19H38O6/c1-5-6-7-8-9-10-12-18(19(20-2,21-3)22-4)24-14-11-13-23-15-17-16-25-17/h17-18H,5-16H2,1-4H3
InChIKeyGHQANDPLGYAJBR-UHFFFAOYSA-N
XLogP3.52
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane
CID 151055599
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-[4-[tri(propan-2-yloxy)methyl]dodecoxymethyl]oxirane
CID 150630689
2-(pentoxymethyl)oxirane
CID 160890113
2-[4-(tribromomethyl)dodecoxymethyl]oxirane
CID 150705909
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-[[(3R)-3-(triethoxymethyl)undecoxy]methyl]oxirane
CID 151612559

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane?
The IUPAC name of 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane (CID 150291237) is 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane.
What is the SMILES notation for 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane?
The canonical SMILES for 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane is CCCCCCCCC(OCCCOCC1CO1)C(OC)(OC)OC.
What is the InChIKey of 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane?
The InChIKey is GHQANDPLGYAJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O6/c1-5-6-7-8-9-10-12-18(19(20-2,21-3)22-4)24-14-11-13-23-15-17-16-25-17/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane?
2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane has a molecular weight of 362.51 g/mol, XLogP of 3.52, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane is sourced from PubChem (CID 150291237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).