2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid

C15H28O2 — CID 144862959

IUPAC2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid
SMILESCC(C)C1(C)CCC(CC(=O)O)C1(C)C(C)C
InChIInChI=1S/C15H28O2/c1-10(2)14(5)8-7-12(9-13(16)17)15(14,6)11(3)4/h10-12H,7-9H2,1-6H3,(H,16,17)
InChIKeyCRWHEBDJWOIAMU-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.20
Rot. Bonds4

About 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid

2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid (PubChem CID 144862959) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid
PubChem CID144862959
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid
SMILESCC(C)C1(C)CCC(CC(=O)O)C1(C)C(C)C
InChIInChI=1S/C15H28O2/c1-10(2)14(5)8-7-12(9-13(16)17)15(14,6)11(3)4/h10-12H,7-9H2,1-6H3,(H,16,17)
InChIKeyCRWHEBDJWOIAMU-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 98874526
2-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]furan-4-yl]acetic acid
CID 99985601
2-(2-tert-butyl-2-methylcyclopropyl)acetic acid
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2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 117017329
2-[(1S,3R)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
CID 90658047
2-[(1S,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
CID 90659158
2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
CID 84667097
2-[(1S,3S)-3-formyl-2,2-dimethylcyclobutyl]acetic acid
CID 100961637
2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid
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CID 99811196

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid (CID 144862959) is 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid is CC(C)C1(C)CCC(CC(=O)O)C1(C)C(C)C.
What is the InChIKey of 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid?
The InChIKey is CRWHEBDJWOIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-10(2)14(5)8-7-12(9-13(16)17)15(14,6)11(3)4/h10-12H,7-9H2,1-6H3,(H,16,17).
What are the key properties of 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid?
2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid has a molecular weight of 240.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 144862959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).