6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C21H32O2 — CID 139896307

IUPAC6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCCCCCCCCCCC1CCc2cc(C(=O)O)ccc2C1
InChIInChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-17-11-12-19-16-20(21(22)23)14-13-18(19)15-17/h13-14,16-17H,2-12,15H2,1H3,(H,22,23)
InChIKeyQTWUEDZKESAWHZ-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.02
Rot. Bonds10

About 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 139896307) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID139896307
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCCCCCCCCCCC1CCc2cc(C(=O)O)ccc2C1
InChIInChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-17-11-12-19-16-20(21(22)23)14-13-18(19)15-17/h13-14,16-17H,2-12,15H2,1H3,(H,22,23)
InChIKeyQTWUEDZKESAWHZ-UHFFFAOYSA-N
XLogP6.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
6-(carboxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22118655
6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139877548
(4-cyanocyclohexyl) 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 57203701
(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 70487224
(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 70486702
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404
2-heptyl-6-(4-hexylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500542
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500147
6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 23359820

Frequently Asked Questions

What is the IUPAC name of 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 139896307) is 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is CCCCCCCCCCC1CCc2cc(C(=O)O)ccc2C1.
What is the InChIKey of 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is QTWUEDZKESAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-17-11-12-19-16-20(21(22)23)14-13-18(19)15-17/h13-14,16-17H,2-12,15H2,1H3,(H,22,23).
What are the key properties of 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 316.49 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 139896307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).