2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid

C16H26O2 — CID 122684992

IUPAC2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid
SMILESCCCCC(C(=O)O)C1CC2CC1C1CCCC21
InChIInChI=1S/C16H26O2/c1-2-3-5-13(16(17)18)15-9-10-8-14(15)12-7-4-6-11(10)12/h10-15H,2-9H2,1H3,(H,17,18)
InChIKeyICIPGDFGCSLNPM-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.95
Rot. Bonds5

About 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid

2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid (PubChem CID 122684992) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid.

Molecular Properties

Compound Name2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid
PubChem CID122684992
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid
SMILESCCCCC(C(=O)O)C1CC2CC1C1CCCC21
InChIInChI=1S/C16H26O2/c1-2-3-5-13(16(17)18)15-9-10-8-14(15)12-7-4-6-11(10)12/h10-15H,2-9H2,1H3,(H,17,18)
InChIKeyICIPGDFGCSLNPM-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutylhexanoic acid
CID 102568246
(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 43710212
2-cyclopentyltridecanoic acid
CID 22665117
2-(3-chlorocyclohexyl)tetradecanoic acid
CID 57003487
2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
2-cyclohexyldecanoic acid
CID 19004831
2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941
2-(1-propylpiperidin-4-yl)hexanoic acid
CID 142749143
8-hexyltricyclo[5.2.1.02,6]decane
CID 18442200
2-(2-ethylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890811

Frequently Asked Questions

What is the IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid?
The IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid (CID 122684992) is 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid.
What is the SMILES notation for 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid?
The canonical SMILES for 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid is CCCCC(C(=O)O)C1CC2CC1C1CCCC21.
What is the InChIKey of 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid?
The InChIKey is ICIPGDFGCSLNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-5-13(16(17)18)15-9-10-8-14(15)12-7-4-6-11(10)12/h10-15H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid?
2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid has a molecular weight of 250.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid is sourced from PubChem (CID 122684992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).