trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane

C18H33NO3Si — CID 21160496

IUPACtrimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane
SMILESC=C/C=C(\O[Si](C)(C)C)N1C(C)(C)CC2(CC1(C)C)OCCO2
InChIInChI=1S/C18H33NO3Si/c1-9-10-15(22-23(6,7)8)19-16(2,3)13-18(14-17(19,4)5)20-11-12-21-18/h9-10H,1,11-14H2,2-8H3/b15-10-
InChIKeyKHHNPMOYPHWIRN-GDNBJRDFSA-N
MW339.55 g/mol
LogP4.26
Rot. Bonds4

About trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane

trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane (PubChem CID 21160496) has the molecular formula C18H33NO3Si and a molecular weight of 339.55 g/mol. Its IUPAC name is trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane
PubChem CID21160496
Molecular FormulaC18H33NO3Si
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Nametrimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane
SMILESC=C/C=C(\O[Si](C)(C)C)N1C(C)(C)CC2(CC1(C)C)OCCO2
InChIInChI=1S/C18H33NO3Si/c1-9-10-15(22-23(6,7)8)19-16(2,3)13-18(14-17(19,4)5)20-11-12-21-18/h9-10H,1,11-14H2,2-8H3/b15-10-
InChIKeyKHHNPMOYPHWIRN-GDNBJRDFSA-N
XLogP4.26
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane?
The IUPAC name of trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane (CID 21160496) is trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane.
What is the SMILES notation for trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane?
The canonical SMILES for trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane is C=C/C=C(\O[Si](C)(C)C)N1C(C)(C)CC2(CC1(C)C)OCCO2.
What is the InChIKey of trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane?
The InChIKey is KHHNPMOYPHWIRN-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H33NO3Si/c1-9-10-15(22-23(6,7)8)19-16(2,3)13-18(14-17(19,4)5)20-11-12-21-18/h9-10H,1,11-14H2,2-8H3/b15-10-.
What are the key properties of trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane?
trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane has a molecular weight of 339.55 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1Z)-1-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)buta-1,3-dienoxy]silane is sourced from PubChem (CID 21160496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).