tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate

C17H33NO4SSi — CID 10045024

IUPACtert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate
SMILESC=CCC(CC=C)N(C(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C17H33NO4SSi/c1-9-11-15(12-10-2)18(16(19)22-17(3,4)5)23(20,21)13-14-24(6,7)8/h9-10,15H,1-2,11-14H2,3-8H3
InChIKeyLKKNZDQXOKAAPL-UHFFFAOYSA-N
MW375.61 g/mol
LogP4.41
Rot. Bonds9

About tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate

tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate (PubChem CID 10045024) has the molecular formula C17H33NO4SSi and a molecular weight of 375.61 g/mol. Its IUPAC name is tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate
PubChem CID10045024
Molecular FormulaC17H33NO4SSi
Molecular Weight375.61 g/mol
Exact Mass375.19
IUPAC Nametert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate
SMILESC=CCC(CC=C)N(C(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C17H33NO4SSi/c1-9-11-15(12-10-2)18(16(19)22-17(3,4)5)23(20,21)13-14-24(6,7)8/h9-10,15H,1-2,11-14H2,3-8H3
InChIKeyLKKNZDQXOKAAPL-UHFFFAOYSA-N
XLogP4.41
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.61
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate
CID 162406608
tert-butyl (2S,3R)-3-[[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethylsulfonyl)amino]methyl]-2-(phenylmethoxycarbonylamino)hex-5-enoate
CID 163283786
tert-butyl N-hepta-1,6-dien-4-yl-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 11824372
tert-butyl N-methyl-N-(1-oxopent-4-en-2-yl)carbamate
CID 72647061
tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
CID 167351432
1-[(2-methylpropan-2-yl)oxy]-1-oxopent-4-ene-2-sulfonic acid
CID 87208641
tert-butyl N-(1-chlorobut-3-enyl)-N-prop-2-enylcarbamate
CID 156518979
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pent-4-en-2-yl]amino]acetic acid
CID 134594143
tert-butyl N-ethenyl-N-propan-2-ylcarbamate
CID 88918328
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
1-O-methyl 5-O-(2-trimethylsilylethyl) (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-prop-2-enylpentanedioate
CID 10982278
tert-butyl 2-aminopent-4-enoate;hydrochloride
CID 139035813

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate?
The IUPAC name of tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate (CID 10045024) is tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate.
What is the SMILES notation for tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate?
The canonical SMILES for tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate is C=CCC(CC=C)N(C(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate?
The InChIKey is LKKNZDQXOKAAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4SSi/c1-9-11-15(12-10-2)18(16(19)22-17(3,4)5)23(20,21)13-14-24(6,7)8/h9-10,15H,1-2,11-14H2,3-8H3.
What are the key properties of tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate?
tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate has a molecular weight of 375.61 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate is sourced from PubChem (CID 10045024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).