2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid

C12H20O2 — CID 115020768

IUPAC2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid
SMILESCC1(C)CC2CCC(C1)C2CC(=O)O
InChIInChI=1S/C12H20O2/c1-12(2)6-8-3-4-9(7-12)10(8)5-11(13)14/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyUFIHJWAGJJFTSK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.92
Rot. Bonds2

About 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid

2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid (PubChem CID 115020768) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid
PubChem CID115020768
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid
SMILESCC1(C)CC2CCC(C1)C2CC(=O)O
InChIInChI=1S/C12H20O2/c1-12(2)6-8-3-4-9(7-12)10(8)5-11(13)14/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyUFIHJWAGJJFTSK-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid?
The IUPAC name of 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid (CID 115020768) is 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid.
What is the SMILES notation for 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid?
The canonical SMILES for 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid is CC1(C)CC2CCC(C1)C2CC(=O)O.
What is the InChIKey of 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid?
The InChIKey is UFIHJWAGJJFTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2)6-8-3-4-9(7-12)10(8)5-11(13)14/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid?
2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid has a molecular weight of 196.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid is sourced from PubChem (CID 115020768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).