2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid

C15H24O4 — CID 139838186

IUPAC2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
SMILESCCCC1CC(C(=O)O)C2CCCCC2C1C(=O)O
InChIInChI=1S/C15H24O4/c1-2-5-9-8-12(14(16)17)10-6-3-4-7-11(10)13(9)15(18)19/h9-13H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKEOMXAMADVROOF-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.01
Rot. Bonds4

About 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid

2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid (PubChem CID 139838186) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
PubChem CID139838186
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
SMILESCCCC1CC(C(=O)O)C2CCCCC2C1C(=O)O
InChIInChI=1S/C15H24O4/c1-2-5-9-8-12(14(16)17)10-6-3-4-7-11(10)13(9)15(18)19/h9-13H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKEOMXAMADVROOF-UHFFFAOYSA-N
XLogP3.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid with MolForge

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2,4-tricarboxylic acid
CID 57215846
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
2,4,6-tripropylcyclohexane-1-carboxylic acid
CID 135149042
2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020736
2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
CID 53424399
2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114110539
3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
CID 20622006
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
3-amino-2-propylcyclobutane-1-carboxylic acid
CID 123989356

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid?
The IUPAC name of 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid (CID 139838186) is 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid.
What is the SMILES notation for 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid?
The canonical SMILES for 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid is CCCC1CC(C(=O)O)C2CCCCC2C1C(=O)O.
What is the InChIKey of 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid?
The InChIKey is KEOMXAMADVROOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-2-5-9-8-12(14(16)17)10-6-3-4-7-11(10)13(9)15(18)19/h9-13H,2-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid?
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid has a molecular weight of 268.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid is sourced from PubChem (CID 139838186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).