1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid

C10H18O3 — CID 83906995

IUPAC1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid
SMILESCC1CCCCC(C)C1(O)C(=O)O
InChIInChI=1S/C10H18O3/c1-7-5-3-4-6-8(2)10(7,13)9(11)12/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyAABSAYNODZSPMV-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds1

About 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid

1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid (PubChem CID 83906995) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid
PubChem CID83906995
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid
SMILESCC1CCCCC(C)C1(O)C(=O)O
InChIInChI=1S/C10H18O3/c1-7-5-3-4-6-8(2)10(7,13)9(11)12/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyAABSAYNODZSPMV-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
CID 83905293
1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 63688368
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560
1-cyclopentylsulfanyl-2-methylcyclopentane-1-carboxylic acid
CID 79678876
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
carbamic acid;1,2-dimethylcyclohexan-1-amine
CID 175425918
2-(1-hydroxy-2-methylcyclohexyl)-3-methylbutanoic acid
CID 62397827
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid
CID 130935055
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid (CID 83906995) is 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid is CC1CCCCC(C)C1(O)C(=O)O.
What is the InChIKey of 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid?
The InChIKey is AABSAYNODZSPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-5-3-4-6-8(2)10(7,13)9(11)12/h7-8,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid?
1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid is sourced from PubChem (CID 83906995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).