1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

C11H18O2 — CID 565594

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)C2CCC1(C)C(C(=O)O)C2
InChIInChI=1S/C11H18O2/c1-10(2)7-4-5-11(10,3)8(6-7)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyZURRKVIQUKNLHF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.53
Rot. Bonds1

About 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 565594) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID565594
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)C2CCC1(C)C(C(=O)O)C2
InChIInChI=1S/C11H18O2/c1-10(2)7-4-5-11(10,3)8(6-7)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyZURRKVIQUKNLHF-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,2,3-Trimethylcyclopentyl)butanoic acid
CID 25099817
2,3-Norbornanedicarboxylic acid
CID 99835
Bicyclo(2.2.1)heptane-1-carboxylic acid
CID 140414
Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
CID 99843
4-Tert-butylcyclohexane-1-carboxylic acid
CID 136759
stereoisomer of 2,3-Dimethyltricyclo(2.2.1.02,6)heptane-3-carboxylic acid
CID 5321816
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
CID 103659
Bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79113
Norborn-2-ylacetic acid
CID 79139
3,3-Dimethyl-2-methylenebicyclo[2.2.1]heptane-1-carboxylic acid
CID 139125
(1S)-(+)-Ketopinic acid
CID 739183
Norecasantalic acid
CID 100966488

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 565594) is 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid is CC1(C)C2CCC1(C)C(C(=O)O)C2.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ZURRKVIQUKNLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)7-4-5-11(10,3)8(6-7)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 565594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).