1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium

C18H27OY- — CID 59933483

IUPAC1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium
SMILESCOc1c(C)c(C)c(C)c(C)c1CC1CC[CH-]CC1.[Y]
InChIInChI=1S/C18H27O.Y/c1-12-13(2)15(4)18(19-5)17(14(12)3)11-16-9-7-6-8-10-16;/h6,16H,7-11H2,1-5H3;/q-1;
InChIKeyDTDKIMZSDRPUKT-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.86
Rot. Bonds3

About 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium

1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium (PubChem CID 59933483) has the molecular formula C18H27OY- and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium
PubChem CID59933483
Molecular FormulaC18H27OY-
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium
SMILESCOc1c(C)c(C)c(C)c(C)c1CC1CC[CH-]CC1.[Y]
InChIInChI=1S/C18H27O.Y/c1-12-13(2)15(4)18(19-5)17(14(12)3)11-16-9-7-6-8-10-16;/h6,16H,7-11H2,1-5H3;/q-1;
InChIKeyDTDKIMZSDRPUKT-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116926550
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]azetidine
CID 116925360
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
CID 117118006
4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one
CID 116928623
1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3-fluoro-5-methoxy-2,6-dimethylbenzene
CID 59933470
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 84815949
CID 59129967
CID 59129967
1-(chloromethyl)-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 10878929
(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine
CID 139777100
4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium?
The IUPAC name of 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium (CID 59933483) is 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium?
The canonical SMILES for 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium is COc1c(C)c(C)c(C)c(C)c1CC1CC[CH-]CC1.[Y].
What is the InChIKey of 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium?
The InChIKey is DTDKIMZSDRPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27O.Y/c1-12-13(2)15(4)18(19-5)17(14(12)3)11-16-9-7-6-8-10-16;/h6,16H,7-11H2,1-5H3;/q-1;.
What are the key properties of 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium?
1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium has a molecular weight of 348.32 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium is sourced from PubChem (CID 59933483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).