5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid

C10H14O2 — CID 162944788

IUPAC5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid
SMILESC=C1C=CC(C(=O)O)CC1(C)C
InChIInChI=1S/C10H14O2/c1-7-4-5-8(9(11)12)6-10(7,2)3/h4-5,8H,1,6H2,2-3H3,(H,11,12)
InChIKeyIWUPUYREUUUUHF-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds1

About 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid

5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid (PubChem CID 162944788) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid
PubChem CID162944788
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid
SMILESC=C1C=CC(C(=O)O)CC1(C)C
InChIInChI=1S/C10H14O2/c1-7-4-5-8(9(11)12)6-10(7,2)3/h4-5,8H,1,6H2,2-3H3,(H,11,12)
InChIKeyIWUPUYREUUUUHF-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid?
The IUPAC name of 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid (CID 162944788) is 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid is C=C1C=CC(C(=O)O)CC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid?
The InChIKey is IWUPUYREUUUUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-4-5-8(9(11)12)6-10(7,2)3/h4-5,8H,1,6H2,2-3H3,(H,11,12).
What are the key properties of 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid?
5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-methylidenecyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 162944788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).