1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium

C29H45Y- — CID 59931202

IUPAC1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium
SMILESCc1[c-]c(C)cc(CC2CCC(CC3CCC(C4CCC(C)CC4)CC3)CC2)c1.[Y]
InChIInChI=1S/C29H45.Y/c1-21-4-12-28(13-5-21)29-14-10-26(11-15-29)19-24-6-8-25(9-7-24)20-27-17-22(2)16-23(3)18-27;/h17-18,21,24-26,28-29H,4-15,19-20H2,1-3H3;/q-1;
InChIKeyBHGWERYUUOWAKK-UHFFFAOYSA-N
MW482.59 g/mol
LogP8.47
Rot. Bonds5

About 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium

1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium (PubChem CID 59931202) has the molecular formula C29H45Y- and a molecular weight of 482.59 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium
PubChem CID59931202
Molecular FormulaC29H45Y-
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC Name1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium
SMILESCc1[c-]c(C)cc(CC2CCC(CC3CCC(C4CCC(C)CC4)CC3)CC2)c1.[Y]
InChIInChI=1S/C29H45.Y/c1-21-4-12-28(13-5-21)29-14-10-26(11-15-29)19-24-6-8-25(9-7-24)20-27-17-22(2)16-23(3)18-27;/h17-18,21,24-26,28-29H,4-15,19-20H2,1-3H3;/q-1;
InChIKeyBHGWERYUUOWAKK-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 58.47
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium?
The IUPAC name of 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium (CID 59931202) is 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium.
What is the SMILES notation for 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium?
The canonical SMILES for 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium is Cc1[c-]c(C)cc(CC2CCC(CC3CCC(C4CCC(C)CC4)CC3)CC2)c1.[Y].
What is the InChIKey of 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium?
The InChIKey is BHGWERYUUOWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45.Y/c1-21-4-12-28(13-5-21)29-14-10-26(11-15-29)19-24-6-8-25(9-7-24)20-27-17-22(2)16-23(3)18-27;/h17-18,21,24-26,28-29H,4-15,19-20H2,1-3H3;/q-1;.
What are the key properties of 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium?
1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium has a molecular weight of 482.59 g/mol, XLogP of 8.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium is sourced from PubChem (CID 59931202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).