1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one

C19H28O — CID 65449682

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28O/c1-2-3-4-5-6-7-12-19(20)18-14-13-16-10-8-9-11-17(16)15-18/h13-15H,2-12H2,1H3
InChIKeyZATANFSTRCXTRY-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.50
Rot. Bonds8

About 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one

1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one (PubChem CID 65449682) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
PubChem CID65449682
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28O/c1-2-3-4-5-6-7-12-19(20)18-14-13-16-10-8-9-11-17(16)15-18/h13-15H,2-12H2,1H3
InChIKeyZATANFSTRCXTRY-UHFFFAOYSA-N
XLogP5.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101388
4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 82341441
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
N,N-dimethyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 82121263
2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43801226
(E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)hept-2-enoic acid
CID 82049643
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one (CID 65449682) is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one is CCCCCCCCC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one?
The InChIKey is ZATANFSTRCXTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-2-3-4-5-6-7-12-19(20)18-14-13-16-10-8-9-11-17(16)15-18/h13-15H,2-12H2,1H3.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one?
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one has a molecular weight of 272.43 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one is sourced from PubChem (CID 65449682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).