2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid

C11H18O2 — CID 71380870

IUPAC2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid
SMILESCC1(C)C2CCC1(CC(=O)O)CC2
InChIInChI=1S/C11H18O2/c1-10(2)8-3-5-11(10,6-4-8)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyHNWAQNBCERQZJS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid

2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid (PubChem CID 71380870) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid
PubChem CID71380870
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid
SMILESCC1(C)C2CCC1(CC(=O)O)CC2
InChIInChI=1S/C11H18O2/c1-10(2)8-3-5-11(10,6-4-8)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyHNWAQNBCERQZJS-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid?
The IUPAC name of 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid (CID 71380870) is 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid.
What is the SMILES notation for 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid?
The canonical SMILES for 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid is CC1(C)C2CCC1(CC(=O)O)CC2.
What is the InChIKey of 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid?
The InChIKey is HNWAQNBCERQZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)8-3-5-11(10,6-4-8)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid?
2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid is sourced from PubChem (CID 71380870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).