2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane

C19H38O5 — CID 151055599

IUPAC2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane
SMILESCCCCCCCCC(CCCOCC1CO1)C(OC)(OC)OC
InChIInChI=1S/C19H38O5/c1-5-6-7-8-9-10-12-17(19(20-2,21-3)22-4)13-11-14-23-15-18-16-24-18/h17-18H,5-16H2,1-4H3
InChIKeyMFAWEYJGIGIYFH-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.14
Rot. Bonds17

About 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane

2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane (PubChem CID 151055599) has the molecular formula C19H38O5 and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane.

Molecular Properties

Compound Name2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane
PubChem CID151055599
Molecular FormulaC19H38O5
Molecular Weight346.51 g/mol
Exact Mass346.27
IUPAC Name2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane
SMILESCCCCCCCCC(CCCOCC1CO1)C(OC)(OC)OC
InChIInChI=1S/C19H38O5/c1-5-6-7-8-9-10-12-17(19(20-2,21-3)22-4)13-11-14-23-15-18-16-24-18/h17-18H,5-16H2,1-4H3
InChIKeyMFAWEYJGIGIYFH-UHFFFAOYSA-N
XLogP4.14
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[tri(propan-2-yloxy)methyl]dodecoxymethyl]oxirane
CID 150630689
2-[4-(tribromomethyl)dodecoxymethyl]oxirane
CID 150705909
2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane
CID 150291237
2-[[(3R)-3-(triethoxymethyl)undecoxy]methyl]oxirane
CID 151612559
methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane
CID 159157678
2-[4-(1,1-dipropoxyethyl)dodecoxymethyl]oxirane
CID 152572245
2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
CID 151032004
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane?
The IUPAC name of 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane (CID 151055599) is 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane.
What is the SMILES notation for 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane?
The canonical SMILES for 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane is CCCCCCCCC(CCCOCC1CO1)C(OC)(OC)OC.
What is the InChIKey of 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane?
The InChIKey is MFAWEYJGIGIYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5/c1-5-6-7-8-9-10-12-17(19(20-2,21-3)22-4)13-11-14-23-15-18-16-24-18/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane?
2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane has a molecular weight of 346.51 g/mol, XLogP of 4.14, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane is sourced from PubChem (CID 151055599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).