1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium

C13H15O2Y- — CID 58954909

IUPAC1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium
SMILESCc1[c-]ccc(C2(C(=O)O)CCCC2)c1.[Y]
InChIInChI=1S/C13H15O2.Y/c1-10-5-4-6-11(9-10)13(12(14)15)7-2-3-8-13;/h4,6,9H,2-3,7-8H2,1H3,(H,14,15);/q-1;
InChIKeyAQSZTMUMEHVXOG-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.69
Rot. Bonds2

About 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium

1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium (PubChem CID 58954909) has the molecular formula C13H15O2Y- and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium.

Molecular Properties

Compound Name1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium
PubChem CID58954909
Molecular FormulaC13H15O2Y-
Molecular Weight292.17 g/mol
Exact Mass292.01
IUPAC Name1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium
SMILESCc1[c-]ccc(C2(C(=O)O)CCCC2)c1.[Y]
InChIInChI=1S/C13H15O2.Y/c1-10-5-4-6-11(9-10)13(12(14)15)7-2-3-8-13;/h4,6,9H,2-3,7-8H2,1H3,(H,14,15);/q-1;
InChIKeyAQSZTMUMEHVXOG-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(3-chloro-1-methylindol-5-yl)cyclopentane-1-carboxylic acid
CID 117445299
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(3-chloro-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117430133
1-(3-methyl-4-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117453832
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
5-(1-carboxycyclohexyl)-2,3-dimethylbenzoic acid
CID 117442429

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium?
The IUPAC name of 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium (CID 58954909) is 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium.
What is the SMILES notation for 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium?
The canonical SMILES for 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium is Cc1[c-]ccc(C2(C(=O)O)CCCC2)c1.[Y].
What is the InChIKey of 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium?
The InChIKey is AQSZTMUMEHVXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O2.Y/c1-10-5-4-6-11(9-10)13(12(14)15)7-2-3-8-13;/h4,6,9H,2-3,7-8H2,1H3,(H,14,15);/q-1;.
What are the key properties of 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium?
1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium has a molecular weight of 292.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium is sourced from PubChem (CID 58954909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).