2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid

C12H22O3 — CID 65084607

IUPAC2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid
SMILESCC1CCCC(O)(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H22O3/c1-9-5-4-7-12(15,8-6-9)11(2,3)10(13)14/h9,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyNUIJTCVDOOQLOO-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.43
Rot. Bonds2

About 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid

2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid (PubChem CID 65084607) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid
PubChem CID65084607
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid
SMILESCC1CCCC(O)(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H22O3/c1-9-5-4-7-12(15,8-6-9)11(2,3)10(13)14/h9,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyNUIJTCVDOOQLOO-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid
CID 62397063
2-(1-hydroxycyclododecyl)-2-methylpropanoic acid
CID 12574141
2-(1-hydroxycyclopropyl)-2-methylpropanoic acid
CID 84762839
2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
CID 65085394
5-methylcyclooctane-1,1-diol
CID 22461370
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcycloheptyl)acetic acid
CID 65090679
4-tert-butyl-1-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 79425363
1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 54078464
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82236337
3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 82236601
4-tert-butyl-1-hydroxycycloheptane-1-carboxylic acid
CID 65095145

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid (CID 65084607) is 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid is CC1CCCC(O)(C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid?
The InChIKey is NUIJTCVDOOQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9-5-4-7-12(15,8-6-9)11(2,3)10(13)14/h9,15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid?
2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid is sourced from PubChem (CID 65084607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).