3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid

C15H26O3 — CID 79429347

IUPAC3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(C2CCCCCC2O)C1
InChIInChI=1S/C15H26O3/c1-2-11-8-9-15(10-11,14(17)18)12-6-4-3-5-7-13(12)16/h11-13,16H,2-10H2,1H3,(H,17,18)
InChIKeyAVINWCGPINSRCE-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.21
Rot. Bonds3

About 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid

3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid (PubChem CID 79429347) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid
PubChem CID79429347
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(C2CCCCCC2O)C1
InChIInChI=1S/C15H26O3/c1-2-11-8-9-15(10-11,14(17)18)12-6-4-3-5-7-13(12)16/h11-13,16H,2-10H2,1H3,(H,17,18)
InChIKeyAVINWCGPINSRCE-UHFFFAOYSA-N
XLogP3.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2R)-2-hydroxycyclohexyl]-2-methylpropanoic acid
CID 68583044
Fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate
CID 174957614
3-Hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 77242062
1-(2-Hydroxyhexyl)cyclopentane-1-carboxylic acid
CID 90772055
2-(2-Hydroxy-1-methylcycloheptyl)acetic acid
CID 123795625
4-Hydroxyspiro[4.4]nonane-9-carboxylic acid
CID 141855226
2-[1-(3-Hydroxypentyl)cyclopentyl]acetic acid
CID 169732669
trans-methyl (1R,2R)-2-(1-hydroxyethyl)-1-methylcyclobutane-1-carboxylate
CID 13869965
3-Pivaloyl-2-methylcycloheptanol
CID 129808264
trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 130909824
3-Ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
CID 79428293
3-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
CID 79428765

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid (CID 79429347) is 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid is CCC1CCC(C(=O)O)(C2CCCCCC2O)C1.
What is the InChIKey of 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid?
The InChIKey is AVINWCGPINSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-11-8-9-15(10-11,14(17)18)12-6-4-3-5-7-13(12)16/h11-13,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid?
3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79429347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).