(6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid

C10H16O3 — CID 162990957

IUPAC(6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid
SMILESCC(C)[C@]1(O)CCCC=C1C(=O)O
InChIInChI=1S/C10H16O3/c1-7(2)10(13)6-4-3-5-8(10)9(11)12/h5,7,13H,3-4,6H2,1-2H3,(H,11,12)/t10-/m1/s1
InChIKeyZZILIIPCYHUSQC-SNVBAGLBSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds2

About (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid

(6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid (PubChem CID 162990957) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid
PubChem CID162990957
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid
SMILESCC(C)[C@]1(O)CCCC=C1C(=O)O
InChIInChI=1S/C10H16O3/c1-7(2)10(13)6-4-3-5-8(10)9(11)12/h5,7,13H,3-4,6H2,1-2H3,(H,11,12)/t10-/m1/s1
InChIKeyZZILIIPCYHUSQC-SNVBAGLBSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid?
The IUPAC name of (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid (CID 162990957) is (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid.
What is the SMILES notation for (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid?
The canonical SMILES for (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid is CC(C)[C@]1(O)CCCC=C1C(=O)O.
What is the InChIKey of (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid?
The InChIKey is ZZILIIPCYHUSQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)10(13)6-4-3-5-8(10)9(11)12/h5,7,13H,3-4,6H2,1-2H3,(H,11,12)/t10-/m1/s1.
What are the key properties of (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid?
(6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 162990957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).