5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid

C15H24O2 — CID 14467331

IUPAC5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid
SMILESCC(CCCC1(C)C2CC3C(C2)C31C)C(=O)O
InChIInChI=1S/C15H24O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyGDGGAJNITUJKMP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.56
Rot. Bonds5

About 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid

5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid (PubChem CID 14467331) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid
PubChem CID14467331
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid
SMILESCC(CCCC1(C)C2CC3C(C2)C31C)C(=O)O
InChIInChI=1S/C15H24O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyGDGGAJNITUJKMP-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
CID 99843
stereoisomer of 2,3-Dimethyltricyclo(2.2.1.02,6)heptane-3-carboxylic acid
CID 5321816
Norecasantalic acid
CID 100966488
Tricyclo[2.2.1.0,2,6]heptane-1-carboxylic acid
CID 296927
Tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 296845
2-Methylbicyclo(2.2.1)heptane-2-carboxylic acid
CID 122552
Tricyclo(5.2.1.0,2,6)decane-2-carboxylic acid
CID 574763
Tetracyclo(3.2.0.0^(2,7).0^(4,6))heptane-1-carboxylic acid
CID 13981154
3-(2,3-Dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)propanoic acid
CID 15433329
2-Bornanecarboxylic acid
CID 565594
(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid
CID 20327362
DL-Camphoricacid
CID 297894

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid?
The IUPAC name of 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid (CID 14467331) is 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid.
What is the SMILES notation for 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid?
The canonical SMILES for 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid is CC(CCCC1(C)C2CC3C(C2)C31C)C(=O)O.
What is the InChIKey of 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid?
The InChIKey is GDGGAJNITUJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h9-12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid?
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid has a molecular weight of 236.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid is sourced from PubChem (CID 14467331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).