2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid

C15H26O2 — CID 53424399

IUPAC2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
SMILESCCCCC1CCC2CCCCC2C1C(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyKJVLOGOYRVZZRZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.09
Rot. Bonds4

About 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid

2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid (PubChem CID 53424399) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
PubChem CID53424399
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
SMILESCCCCC1CCC2CCCCC2C1C(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyKJVLOGOYRVZZRZ-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 139838186
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
2-cyclohexyl-5-pentylcyclopentan-1-ol
CID 22937314
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-9-butyl-2,3,4,4a,5,6,6a,7,8,9,10a,10b-dodecahydro-1,10-phenanthroline-1,10-diide;carbanide;hafnium
CID 169305029
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butan-1-ol
CID 89099037
(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane
CID 58552183
2-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1-carboxylic acid
CID 178190225
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
(1S)-1-butyl-2-methylcyclohexane
CID 145054487

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid (CID 53424399) is 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid is CCCCC1CCC2CCCCC2C1C(=O)O.
What is the InChIKey of 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The InChIKey is KJVLOGOYRVZZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15(16)17/h11-14H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid has a molecular weight of 238.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 53424399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).