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

C11H16O2 — CID 100966488

IUPAC2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid
SMILESCC1(CC(=O)O)C2CC3C(C2)C31C
InChIInChI=1S/C11H16O2/c1-10(5-9(12)13)6-3-7-8(4-6)11(7,10)2/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyLDSSHHGVKDZTIX-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.14
Rot. Bonds2

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

2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid (PubChem CID 100966488) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid
PubChem CID100966488
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid
SMILESCC1(CC(=O)O)C2CC3C(C2)C31C
InChIInChI=1S/C11H16O2/c1-10(5-9(12)13)6-3-7-8(4-6)11(7,10)2/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyLDSSHHGVKDZTIX-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.14
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
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
1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid
CID 274477
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
Dihydro-alpha-santalic acid
CID 14467331
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 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid?
The IUPAC name of 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid (CID 100966488) is 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid?
The canonical SMILES for 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid is CC1(CC(=O)O)C2CC3C(C2)C31C.
What is the InChIKey of 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid?
The InChIKey is LDSSHHGVKDZTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-10(5-9(12)13)6-3-7-8(4-6)11(7,10)2/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid?
2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid has a molecular weight of 180.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid is sourced from PubChem (CID 100966488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).