4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)

C23H35Y+2 — CID 18720889

IUPAC4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)
SMILESCC1CCC(C2CCC(CCCCc3cc[c-]cc3)CC2)CC1.[Y+3]
InChIInChI=1S/C23H35.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;/h3-4,7-8,19,21-23H,5-6,9-18H2,1H3;/q-1;+3
InChIKeyFAEFTMYMIPZGMV-UHFFFAOYSA-N
MW400.44 g/mol
LogP6.83
Rot. Bonds6

About 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)

4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+) (PubChem CID 18720889) has the molecular formula C23H35Y+2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+).

Molecular Properties

Compound Name4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)
PubChem CID18720889
Molecular FormulaC23H35Y+2
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)
SMILESCC1CCC(C2CCC(CCCCc3cc[c-]cc3)CC2)CC1.[Y+3]
InChIInChI=1S/C23H35.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;/h3-4,7-8,19,21-23H,5-6,9-18H2,1H3;/q-1;+3
InChIKeyFAEFTMYMIPZGMV-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 56.83
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-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium
CID 59931212
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
CID 59931239
1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
CID 18720895
1,2,3-trimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]benzene;1,2,3-trimethyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54517102
1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)
CID 18720783
3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
CID 21265168
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
4-cyclopropylbutylbenzene
CID 10261592

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)?
The IUPAC name of 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+) (CID 18720889) is 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+).
What is the SMILES notation for 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)?
The canonical SMILES for 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+) is CC1CCC(C2CCC(CCCCc3cc[c-]cc3)CC2)CC1.[Y+3].
What is the InChIKey of 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)?
The InChIKey is FAEFTMYMIPZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35.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;/h3-4,7-8,19,21-23H,5-6,9-18H2,1H3;/q-1;+3.
What are the key properties of 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)?
4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+) has a molecular weight of 400.44 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+) is sourced from PubChem (CID 18720889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).