5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid

C15H26O2 — CID 90477996

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
SMILESO=C(O)CCCCC1CCC2CCCCC2C1
InChIInChI=1S/C15H26O2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h12-14H,1-11H2,(H,16,17)
InChIKeyFOSUJQMSNUVRRG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds5

About 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid

5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid (PubChem CID 90477996) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
PubChem CID90477996
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
SMILESO=C(O)CCCCC1CCC2CCCCC2C1
InChIInChI=1S/C15H26O2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h12-14H,1-11H2,(H,16,17)
InChIKeyFOSUJQMSNUVRRG-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
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

5-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl)pentanoic acid
CID 157040286
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
8-cyclobutyloctanoic acid
CID 72551210
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
16-[4-(aminomethyl)cyclohexyl]hexadecanoic acid
CID 67111658
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butylamino]ethanethiol;sulfuric acid
CID 91799099

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid (CID 90477996) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid.
What is the SMILES notation for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid is O=C(O)CCCCC1CCC2CCCCC2C1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid?
The InChIKey is FOSUJQMSNUVRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h12-14H,1-11H2,(H,16,17).
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid is sourced from PubChem (CID 90477996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).