2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene

C36H54 — CID 177211628

IUPAC2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene
SMILESCCC(c1ccccc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C36H54/c1-8-36(29-17-11-9-12-18-29,30-19-13-10-14-20-30)34-22-16-15-21-31(34)35-32(26(4)5)23-28(25(2)3)24-33(35)27(6)7/h15-16,21-27,29-30H,8-14,17-20H2,1-7H3
InChIKeyUNVAPJVTVOKUCE-UHFFFAOYSA-N
MW486.83 g/mol
LogP11.53
Rot. Bonds8

About 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene

2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene (PubChem CID 177211628) has the molecular formula C36H54 and a molecular weight of 486.83 g/mol. Its IUPAC name is 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene
PubChem CID177211628
Molecular FormulaC36H54
Molecular Weight486.83 g/mol
Exact Mass486.42
IUPAC Name2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene
SMILESCCC(c1ccccc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C36H54/c1-8-36(29-17-11-9-12-18-29,30-19-13-10-14-20-30)34-22-16-15-21-31(34)35-32(26(4)5)23-28(25(2)3)24-33(35)27(6)7/h15-16,21-27,29-30H,8-14,17-20H2,1-7H3
InChIKeyUNVAPJVTVOKUCE-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.83
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene (CID 177211628) is 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene is CCC(c1ccccc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene?
The InChIKey is UNVAPJVTVOKUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54/c1-8-36(29-17-11-9-12-18-29,30-19-13-10-14-20-30)34-22-16-15-21-31(34)35-32(26(4)5)23-28(25(2)3)24-33(35)27(6)7/h15-16,21-27,29-30H,8-14,17-20H2,1-7H3.
What are the key properties of 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene?
2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene has a molecular weight of 486.83 g/mol, XLogP of 11.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 177211628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).