(5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid

C11H18O2 — CID 10986922

IUPAC(5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid
SMILESCC1=C(C(=O)O)C(C)(C)[C@@H](C)CC1
InChIInChI=1S/C11H18O2/c1-7-5-6-8(2)11(3,4)9(7)10(12)13/h8H,5-6H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyUOZMLDWQTIADSN-QMMMGPOBSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds1

About (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid

(5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid (PubChem CID 10986922) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name(5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid
PubChem CID10986922
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid
SMILESCC1=C(C(=O)O)C(C)(C)[C@@H](C)CC1
InChIInChI=1S/C11H18O2/c1-7-5-6-8(2)11(3,4)9(7)10(12)13/h8H,5-6H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyUOZMLDWQTIADSN-QMMMGPOBSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid?
The IUPAC name of (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid (CID 10986922) is (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid.
What is the SMILES notation for (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid?
The canonical SMILES for (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid is CC1=C(C(=O)O)C(C)(C)[C@@H](C)CC1.
What is the InChIKey of (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid?
The InChIKey is UOZMLDWQTIADSN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-5-6-8(2)11(3,4)9(7)10(12)13/h8H,5-6H2,1-4H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid?
(5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,5,6,6-tetramethylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 10986922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).