tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate

C16H33NO3Si — CID 156749640

IUPACtert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
SMILESC=CC(CCNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-10-13(20-21(8,9)16(5,6)7)11-12-17-14(18)19-15(2,3)4/h10,13H,1,11-12H2,2-9H3,(H,17,18)
InChIKeyNQCRXJKOUWZELT-UHFFFAOYSA-N
MW315.53 g/mol
LogP4.48
Rot. Bonds6

About tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate

tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate (PubChem CID 156749640) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
PubChem CID156749640
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Nametert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
SMILESC=CC(CCNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-10-13(20-21(8,9)16(5,6)7)11-12-17-14(18)19-15(2,3)4/h10,13H,1,11-12H2,2-9H3,(H,17,18)
InChIKeyNQCRXJKOUWZELT-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4E)-8-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]deca-4,9-dienoic acid
CID 25214795
tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate
CID 53248482
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 11725893
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873
dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
CID 153328579
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate (CID 156749640) is tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate is C=CC(CCNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate?
The InChIKey is NQCRXJKOUWZELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-10-13(20-21(8,9)16(5,6)7)11-12-17-14(18)19-15(2,3)4/h10,13H,1,11-12H2,2-9H3,(H,17,18).
What are the key properties of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate?
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate has a molecular weight of 315.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate is sourced from PubChem (CID 156749640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).