1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)

C23H29Y+2 — CID 18720895

IUPAC1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
SMILESCC1CCC(c2ccc(CCCCc3cc[c-]cc3)cc2)CC1.[Y+3]
InChIInChI=1S/C23H29.Y/c1-19-11-15-22(16-12-19)23-17-13-21(14-18-23)10-6-5-9-20-7-3-2-4-8-20;/h3-4,7-8,13-14,17-19,22H,5-6,9-12,15-16H2,1H3;/q-1;+3
InChIKeyQHIYVTPABXLQHX-UHFFFAOYSA-N
MW394.39 g/mol
LogP6.34
Rot. Bonds6

About 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)

1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+) (PubChem CID 18720895) has the molecular formula C23H29Y+2 and a molecular weight of 394.39 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+).

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
PubChem CID18720895
Molecular FormulaC23H29Y+2
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Name1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
SMILESCC1CCC(c2ccc(CCCCc3cc[c-]cc3)cc2)CC1.[Y+3]
InChIInChI=1S/C23H29.Y/c1-19-11-15-22(16-12-19)23-17-13-21(14-18-23)10-6-5-9-20-7-3-2-4-8-20;/h3-4,7-8,13-14,17-19,22H,5-6,9-12,15-16H2,1H3;/q-1;+3
InChIKeyQHIYVTPABXLQHX-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.39
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720907
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)
CID 18720903
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
CID 67733492
(4-methylcyclohexyl)benzene;bis(yttrium)
CID 18720966
4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)
CID 18720889
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium
CID 59931212
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)?
The IUPAC name of 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+) (CID 18720895) is 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+).
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+) is CC1CCC(c2ccc(CCCCc3cc[c-]cc3)cc2)CC1.[Y+3].
What is the InChIKey of 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)?
The InChIKey is QHIYVTPABXLQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29.Y/c1-19-11-15-22(16-12-19)23-17-13-21(14-18-23)10-6-5-9-20-7-3-2-4-8-20;/h3-4,7-8,13-14,17-19,22H,5-6,9-12,15-16H2,1H3;/q-1;+3.
What are the key properties of 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)?
1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+) has a molecular weight of 394.39 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+) is sourced from PubChem (CID 18720895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).