propylcyclohexane;yttrium

C9H16Y-2 — CID 58734002

IUPACpropylcyclohexane;yttrium
SMILES[CH2-]CCC1[CH-]CCCC1.[Y]
InChIInChI=1S/C9H16.Y/c1-2-6-9-7-4-3-5-8-9;/h7,9H,1-6,8H2;/q-2;
InChIKeyKBDKGBCHJLSZGP-UHFFFAOYSA-N
MW213.13 g/mol
LogP2.99
Rot. Bonds2

About propylcyclohexane;yttrium

propylcyclohexane;yttrium (PubChem CID 58734002) has the molecular formula C9H16Y-2 and a molecular weight of 213.13 g/mol. Its IUPAC name is propylcyclohexane;yttrium.

Molecular Properties

Compound Namepropylcyclohexane;yttrium
PubChem CID58734002
Molecular FormulaC9H16Y-2
Molecular Weight213.13 g/mol
Exact Mass213.03
IUPAC Namepropylcyclohexane;yttrium
SMILES[CH2-]CCC1[CH-]CCCC1.[Y]
InChIInChI=1S/C9H16.Y/c1-2-6-9-7-4-3-5-8-9;/h7,9H,1-6,8H2;/q-2;
InChIKeyKBDKGBCHJLSZGP-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethylcyclohexane;tungsten;tungsten(2+)
CID 178021606
carbanide;ethylcyclopentane;iron(2+);yttrium
CID 58607216
ethane;ethene;N-ethylcyclohexanamine;yttrium
CID 166469319
carbanide;ethane;methanidylcyclohexane;2-methylpropane;tungsten(2+);yttrium
CID 159854963
carbanide;methylcyclohexane;yttrium
CID 169059199
N-cyclohexylethanimine;yttrium
CID 58247545
carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium
CID 162283431
carbanide;methanol;propylcyclopentane;zirconium(2+)
CID 140876709
potassium;propylcyclohexane;trifluoroborane
CID 175293247
cyclopentane;1-cyclopentyl-N,N-dimethylmethanamine;iron(2+);trimethylstannanylium
CID 23229132
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
lithium;sodium;butane;cyclohexane
CID 173047102

Frequently Asked Questions

What is the IUPAC name of propylcyclohexane;yttrium?
The IUPAC name of propylcyclohexane;yttrium (CID 58734002) is propylcyclohexane;yttrium.
What is the SMILES notation for propylcyclohexane;yttrium?
The canonical SMILES for propylcyclohexane;yttrium is [CH2-]CCC1[CH-]CCCC1.[Y].
What is the InChIKey of propylcyclohexane;yttrium?
The InChIKey is KBDKGBCHJLSZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.Y/c1-2-6-9-7-4-3-5-8-9;/h7,9H,1-6,8H2;/q-2;.
What are the key properties of propylcyclohexane;yttrium?
propylcyclohexane;yttrium has a molecular weight of 213.13 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propylcyclohexane;yttrium is sourced from PubChem (CID 58734002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).