methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane

C28H58O6Si — CID 159157678

IUPACmethoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane
SMILESCCCCCCCCC(CCCOCC1CO1)C(C)(C)OC.CO[Si](C)(C)CCCOCC1CO1
InChIInChI=1S/C19H38O3.C9H20O3Si/c1-5-6-7-8-9-10-12-17(19(2,3)20-4)13-11-14-21-15-18-16-22-18;1-10-13(2,3)6-4-5-11-7-9-8-12-9/h17-18H,5-16H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyKKCCYIDIERVXPM-UHFFFAOYSA-N
MW518.85 g/mol
LogP6.62
Rot. Bonds22

About methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane

methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane (PubChem CID 159157678) has the molecular formula C28H58O6Si and a molecular weight of 518.85 g/mol. Its IUPAC name is methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane.

Molecular Properties

Compound Namemethoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane
PubChem CID159157678
Molecular FormulaC28H58O6Si
Molecular Weight518.85 g/mol
Exact Mass518.40
IUPAC Namemethoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane
SMILESCCCCCCCCC(CCCOCC1CO1)C(C)(C)OC.CO[Si](C)(C)CCCOCC1CO1
InChIInChI=1S/C19H38O3.C9H20O3Si/c1-5-6-7-8-9-10-12-17(19(2,3)20-4)13-11-14-21-15-18-16-22-18;1-10-13(2,3)6-4-5-11-7-9-8-12-9/h17-18H,5-16H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyKKCCYIDIERVXPM-UHFFFAOYSA-N
XLogP6.62
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.85
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-[4-(tribromomethyl)dodecoxymethyl]oxirane
CID 150705909
2-[4-(1,1-dipropoxyethyl)dodecoxymethyl]oxirane
CID 152572245
2-[4-[tri(propan-2-yloxy)methyl]dodecoxymethyl]oxirane
CID 150630689
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953
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-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane
CID 150291237
2-[[(3R)-3-(triethoxymethyl)undecoxy]methyl]oxirane
CID 151612559

Frequently Asked Questions

What is the IUPAC name of methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane?
The IUPAC name of methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane (CID 159157678) is methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane.
What is the SMILES notation for methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane?
The canonical SMILES for methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane is CCCCCCCCC(CCCOCC1CO1)C(C)(C)OC.CO[Si](C)(C)CCCOCC1CO1.
What is the InChIKey of methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane?
The InChIKey is KKCCYIDIERVXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3.C9H20O3Si/c1-5-6-7-8-9-10-12-17(19(2,3)20-4)13-11-14-21-15-18-16-22-18;1-10-13(2,3)6-4-5-11-7-9-8-12-9/h17-18H,5-16H2,1-4H3;9H,4-8H2,1-3H3.
What are the key properties of methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane?
methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane has a molecular weight of 518.85 g/mol, XLogP of 6.62, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane is sourced from PubChem (CID 159157678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).