2-(1-hydroxycyclododecyl)-2-methylpropanoic acid

C16H30O3 — CID 12574141

IUPAC2-(1-hydroxycyclododecyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CCCCCCCCCCC1
InChIInChI=1S/C16H30O3/c1-15(2,14(17)18)16(19)12-10-8-6-4-3-5-7-9-11-13-16/h19H,3-13H2,1-2H3,(H,17,18)
InChIKeyBWTDBVRERYFUTF-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.13
Rot. Bonds2

About 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid

2-(1-hydroxycyclododecyl)-2-methylpropanoic acid (PubChem CID 12574141) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclododecyl)-2-methylpropanoic acid
PubChem CID12574141
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-(1-hydroxycyclododecyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CCCCCCCCCCC1
InChIInChI=1S/C16H30O3/c1-15(2,14(17)18)16(19)12-10-8-6-4-3-5-7-9-11-13-16/h19H,3-13H2,1-2H3,(H,17,18)
InChIKeyBWTDBVRERYFUTF-UHFFFAOYSA-N
XLogP4.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxycyclopropyl)-2-methylpropanoic acid
CID 84762839
2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid
CID 65084607
2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid
CID 62397063
1-tert-butylcyclooctan-1-ol
CID 12697683
2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid
CID 45098570
2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid
CID 170909956
1-(2,2-dimethylpropanoyl)cyclohexane-1-carboxylic acid
CID 58728065
1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
CID 170443189
(2R)-2-hydroxy-2-(1-hydroxycyclohexyl)-2-phenylacetic acid
CID 92524264
2-chloro-2-(1-hydroxycyclohexyl)-2-phenylacetic acid
CID 150500650
2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid
CID 13083372
2-amino-2-(1-methylcyclopentyl)propanoic acid
CID 22023714

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid (CID 12574141) is 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1(O)CCCCCCCCCCC1.
What is the InChIKey of 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid?
The InChIKey is BWTDBVRERYFUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-15(2,14(17)18)16(19)12-10-8-6-4-3-5-7-9-11-13-16/h19H,3-13H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid?
2-(1-hydroxycyclododecyl)-2-methylpropanoic acid has a molecular weight of 270.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclododecyl)-2-methylpropanoic acid is sourced from PubChem (CID 12574141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).