1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate

C17H27NO3Si — CID 70439150

IUPAC1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate
SMILESCC(OC(=O)Nc1c(CO)ccc2c1CCCC2)[Si](C)(C)C
InChIInChI=1S/C17H27NO3Si/c1-12(22(2,3)4)21-17(20)18-16-14(11-19)10-9-13-7-5-6-8-15(13)16/h9-10,12,19H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyZMTQGHOYQMRTFA-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.87
Rot. Bonds4

About 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate

1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate (PubChem CID 70439150) has the molecular formula C17H27NO3Si and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate.

Molecular Properties

Compound Name1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate
PubChem CID70439150
Molecular FormulaC17H27NO3Si
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate
SMILESCC(OC(=O)Nc1c(CO)ccc2c1CCCC2)[Si](C)(C)C
InChIInChI=1S/C17H27NO3Si/c1-12(22(2,3)4)21-17(20)18-16-14(11-19)10-9-13-7-5-6-8-15(13)16/h9-10,12,19H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyZMTQGHOYQMRTFA-UHFFFAOYSA-N
XLogP3.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide
CID 138984379
(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 59218412
ethyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)propanoate;ethyl (2R)-2-hydroxypropanoate
CID 158499287
3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
CID 117340695
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201
2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 137443462
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-(3-methylpyrazol-1-yl)propanoate
CID 137473076
2-[7-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]-2,3-dihydro-1H-inden-4-yl]acetic acid
CID 71265223
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 117295060
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535455
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8950186

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate?
The IUPAC name of 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate (CID 70439150) is 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate.
What is the SMILES notation for 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate?
The canonical SMILES for 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate is CC(OC(=O)Nc1c(CO)ccc2c1CCCC2)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate?
The InChIKey is ZMTQGHOYQMRTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3Si/c1-12(22(2,3)4)21-17(20)18-16-14(11-19)10-9-13-7-5-6-8-15(13)16/h9-10,12,19H,5-8,11H2,1-4H3,(H,18,20).
What are the key properties of 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate?
1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate has a molecular weight of 321.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate is sourced from PubChem (CID 70439150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).