2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid

C17H30O2 — CID 23311783

IUPAC2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid
SMILESCCCC1CCC2(C(=O)O)CC(CCC)CCC2C1
InChIInChI=1S/C17H30O2/c1-3-5-13-9-10-17(16(18)19)12-14(6-4-2)7-8-15(17)11-13/h13-15H,3-12H2,1-2H3,(H,18,19)
InChIKeyVFGCDXQWVYAROG-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.87
Rot. Bonds5

About 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid

2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid (PubChem CID 23311783) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid.

Molecular Properties

Compound Name2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid
PubChem CID23311783
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid
SMILESCCCC1CCC2(C(=O)O)CC(CCC)CCC2C1
InChIInChI=1S/C17H30O2/c1-3-5-13-9-10-17(16(18)19)12-14(6-4-2)7-8-15(17)11-13/h13-15H,3-12H2,1-2H3,(H,18,19)
InChIKeyVFGCDXQWVYAROG-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid?
The IUPAC name of 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid (CID 23311783) is 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid.
What is the SMILES notation for 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid?
The canonical SMILES for 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid is CCCC1CCC2(C(=O)O)CC(CCC)CCC2C1.
What is the InChIKey of 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid?
The InChIKey is VFGCDXQWVYAROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-5-13-9-10-17(16(18)19)12-14(6-4-2)7-8-15(17)11-13/h13-15H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid?
2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid has a molecular weight of 266.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid is sourced from PubChem (CID 23311783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).