2-cyclohexylideneacetic acid;yttrium

C8H11O2Y- — CID 58399110

IUPAC2-cyclohexylideneacetic acid;yttrium
SMILESO=C(O)[C-]=C1CCCCC1.[Y]
InChIInChI=1S/C8H11O2.Y/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H2,(H,9,10);/q-1;
InChIKeyQTKYBBXWVGJTHR-UHFFFAOYSA-N
MW228.08 g/mol
LogP1.76
Rot. Bonds1

About 2-cyclohexylideneacetic acid;yttrium

2-cyclohexylideneacetic acid;yttrium (PubChem CID 58399110) has the molecular formula C8H11O2Y- and a molecular weight of 228.08 g/mol. Its IUPAC name is 2-cyclohexylideneacetic acid;yttrium.

Molecular Properties

Compound Name2-cyclohexylideneacetic acid;yttrium
PubChem CID58399110
Molecular FormulaC8H11O2Y-
Molecular Weight228.08 g/mol
Exact Mass227.98
IUPAC Name2-cyclohexylideneacetic acid;yttrium
SMILESO=C(O)[C-]=C1CCCCC1.[Y]
InChIInChI=1S/C8H11O2.Y/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H2,(H,9,10);/q-1;
InChIKeyQTKYBBXWVGJTHR-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexylideneacetic acid
CID 96206
2-cyclohexylidenepropanoic Acid
CID 2825114
2-Cyclohexylidene-2-fluoroacetic acid
CID 13447948
(Z)-2-fluoro-3-methylhept-2-enoic acid
CID 87956415
2-Fluoro-3-methylhept-2-enoic acid
CID 131229617
3-Ethyl-2-fluorohex-2-enoic acid
CID 108420037
(4-Difluoro-cyclohexylidene)-acetic acid
CID 130966560
(Z)-3-ethyl-2-fluorohex-2-enoic acid
CID 133682037
2-Cyclohexylidene-2-sulfanylacetic acid
CID 20460090
2-(4-Ethylidenecyclohexylidene)acetic acid
CID 21340981
2-(4-Propan-2-ylidenecyclohexylidene)acetic acid
CID 21340983
2-[4-(Carboxymethylidene)cyclohexylidene]acetic acid
CID 88995272

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylideneacetic acid;yttrium?
The IUPAC name of 2-cyclohexylideneacetic acid;yttrium (CID 58399110) is 2-cyclohexylideneacetic acid;yttrium.
What is the SMILES notation for 2-cyclohexylideneacetic acid;yttrium?
The canonical SMILES for 2-cyclohexylideneacetic acid;yttrium is O=C(O)[C-]=C1CCCCC1.[Y].
What is the InChIKey of 2-cyclohexylideneacetic acid;yttrium?
The InChIKey is QTKYBBXWVGJTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.Y/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H2,(H,9,10);/q-1;.
What are the key properties of 2-cyclohexylideneacetic acid;yttrium?
2-cyclohexylideneacetic acid;yttrium has a molecular weight of 228.08 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylideneacetic acid;yttrium is sourced from PubChem (CID 58399110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).