tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol

C16H25NO3 — CID 143068293

IUPACtert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
SMILESCC(C)(C)OC(N)=O.OCc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H14O.C5H11NO2/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-5(2,3)8-4(6)7/h5-7,12H,1-4,8H2;1-3H3,(H2,6,7)
InChIKeyNRFGYBDNOHHCEI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.94
Rot. Bonds1

About tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol

tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol (PubChem CID 143068293) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol.

Molecular Properties

Compound Nametert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
PubChem CID143068293
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
SMILESCC(C)(C)OC(N)=O.OCc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H14O.C5H11NO2/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-5(2,3)8-4(6)7/h5-7,12H,1-4,8H2;1-3H3,(H2,6,7)
InChIKeyNRFGYBDNOHHCEI-UHFFFAOYSA-N
XLogP2.94
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 143068294
2-(2,3-dihydro-1H-inden-5-yl)ethyl carbamate
CID 174986935
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
5-(hydroxymethyl)-2-methyl-1,3-dihydroindene-2-carboxamide
CID 158071360
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 167742435
tert-butyl 2-[5-(hydroxymethyl)-2,3-dihydro-1H-isoindol-1-yl]acetate
CID 139987766
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
CID 138660032
ditert-butyl bicyclo[7.2.2]trideca-1(11),9,12-triene-10,11-dicarboxylate
CID 135066770
tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
CID 107236604
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 138660301

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol?
The IUPAC name of tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol (CID 143068293) is tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol.
What is the SMILES notation for tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol?
The canonical SMILES for tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol is CC(C)(C)OC(N)=O.OCc1ccc2c(c1)CCCC2.
What is the InChIKey of tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol?
The InChIKey is NRFGYBDNOHHCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C5H11NO2/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-5(2,3)8-4(6)7/h5-7,12H,1-4,8H2;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol?
tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol has a molecular weight of 279.38 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol is sourced from PubChem (CID 143068293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).