N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide

C20H45NO2Si3 — CID 10764358

IUPACN-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide
SMILESCC(C)(C)[Si](C)(C)OCC(CC=C(C[Si](C)(C)C)C[Si](C)(C)C)NC=O
InChIInChI=1S/C20H45NO2Si3/c1-20(2,3)26(10,11)23-14-19(21-17-22)13-12-18(15-24(4,5)6)16-25(7,8)9/h12,17,19H,13-16H2,1-11H3,(H,21,22)
InChIKeySLWQIECXEBQWAH-UHFFFAOYSA-N
MW415.84 g/mol
LogP6.12
Rot. Bonds11

About N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide

N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide (PubChem CID 10764358) has the molecular formula C20H45NO2Si3 and a molecular weight of 415.84 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide
PubChem CID10764358
Molecular FormulaC20H45NO2Si3
Molecular Weight415.84 g/mol
Exact Mass415.28
IUPAC NameN-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide
SMILESCC(C)(C)[Si](C)(C)OCC(CC=C(C[Si](C)(C)C)C[Si](C)(C)C)NC=O
InChIInChI=1S/C20H45NO2Si3/c1-20(2,3)26(10,11)23-14-19(21-17-22)13-12-18(15-24(4,5)6)16-25(7,8)9/h12,17,19H,13-16H2,1-11H3,(H,21,22)
InChIKeySLWQIECXEBQWAH-UHFFFAOYSA-N
XLogP6.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.84
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide
CID 10827027
methyl (E)-5-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]imino-5-chloro-3-methyl-4-oxopent-2-enoate
CID 10721593
1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-N-methylpropan-2-amine
CID 71418024
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide?
The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide (CID 10764358) is N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide.
What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide?
The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide is CC(C)(C)[Si](C)(C)OCC(CC=C(C[Si](C)(C)C)C[Si](C)(C)C)NC=O.
What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide?
The InChIKey is SLWQIECXEBQWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO2Si3/c1-20(2,3)26(10,11)23-14-19(21-17-22)13-12-18(15-24(4,5)6)16-25(7,8)9/h12,17,19H,13-16H2,1-11H3,(H,21,22).
What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide?
N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide has a molecular weight of 415.84 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide is sourced from PubChem (CID 10764358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).