6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid

C10H16O3 — CID 11672786

IUPAC6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid
SMILESCC(C)C1(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)
InChIKeyZZILIIPCYHUSQC-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds2

About 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid

6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid (PubChem CID 11672786) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid
PubChem CID11672786
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid
SMILESCC(C)C1(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)
InChIKeyZZILIIPCYHUSQC-UHFFFAOYSA-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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Related Compounds

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CID 1256
(S)-Oleuropeic acid
CID 12313716
Oleuropeic acid
CID 188320
(S)-(-)-Perillic acid
CID 2724160
Perillic Acid (-)
CID 5702197
4-Methylcyclohex-1-ene-1-carboxylic acid
CID 219389
6-Methylcyclohex-1-ene-1-carboxylic acid
CID 10888002
Sedanonic acid
CID 12367058
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
11-Hydroxysclerosporin
CID 45380213
(4R,4aS,8aR)-3,4,4a,7,8,8a-Hexahydro-6-methyl-4-(1-methylethyl)-1-naphthalenecarboxylic acid
CID 442392
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-
CID 11062797

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid?
The IUPAC name of 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid (CID 11672786) is 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid is CC(C)C1(O)CCCC=C1C(=O)O.
What is the InChIKey of 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid?
The InChIKey is ZZILIIPCYHUSQC-UHFFFAOYSA-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).
What are the key properties of 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid?
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 6-hydroxy-6-propan-2-ylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 11672786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).