tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

C16H23NO3 — CID 143068294

IUPACtert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESCC(C)(C)OC(N)=O.O=Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H12O.C5H11NO2/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-5(2,3)8-4(6)7/h5-8H,1-4H2;1-3H3,(H2,6,7)
InChIKeyPBQHCZJVFSSWCN-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.26
Rot. Bonds1

About tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 143068294) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Nametert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
PubChem CID143068294
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESCC(C)(C)OC(N)=O.O=Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H12O.C5H11NO2/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-5(2,3)8-4(6)7/h5-8H,1-4H2;1-3H3,(H2,6,7)
InChIKeyPBQHCZJVFSSWCN-UHFFFAOYSA-N
XLogP3.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
CID 143068293
tert-butyl 7-formyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58277799
tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 19386041
methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
CID 92532886
tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
CID 101344698
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 23433219
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
tert-butyl N-(6-formyl-2,3-dihydro-1H-inden-4-yl)carbamate
CID 84806782
2-(2,3-dihydro-1H-inden-5-yl)ethyl carbamate
CID 174986935
(E)-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-5-en-2-ol
CID 82478746
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (CID 143068294) is tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is CC(C)(C)OC(N)=O.O=Cc1ccc2c(c1)CCCC2.
What is the InChIKey of tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is PBQHCZJVFSSWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C5H11NO2/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-5(2,3)8-4(6)7/h5-8H,1-4H2;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 277.36 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 143068294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).