2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene

C31H46 — CID 143471865

IUPAC2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1C1CCCC1.Cc1ccc(C(C)C)cc1C1CCCCC1
InChIInChI=1S/C16H24.C15H22/c1-12(2)15-10-9-13(3)16(11-15)14-7-5-4-6-8-14;1-11(2)14-9-8-12(3)15(10-14)13-6-4-5-7-13/h9-12,14H,4-8H2,1-3H3;8-11,13H,4-7H2,1-3H3
InChIKeyPABNZYHPHOPJQY-UHFFFAOYSA-N
MW418.71 g/mol
LogP9.94
Rot. Bonds4

About 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene

2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene (PubChem CID 143471865) has the molecular formula C31H46 and a molecular weight of 418.71 g/mol. Its IUPAC name is 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
PubChem CID143471865
Molecular FormulaC31H46
Molecular Weight418.71 g/mol
Exact Mass418.36
IUPAC Name2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1C1CCCC1.Cc1ccc(C(C)C)cc1C1CCCCC1
InChIInChI=1S/C16H24.C15H22/c1-12(2)15-10-9-13(3)16(11-15)14-7-5-4-6-8-14;1-11(2)14-9-8-12(3)15(10-14)13-6-4-5-7-13/h9-12,14H,4-8H2,1-3H3;8-11,13H,4-7H2,1-3H3
InChIKeyPABNZYHPHOPJQY-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.71
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene (CID 143471865) is 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene is Cc1ccc(C(C)C)cc1C1CCCC1.Cc1ccc(C(C)C)cc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene?
The InChIKey is PABNZYHPHOPJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C15H22/c1-12(2)15-10-9-13(3)16(11-15)14-7-5-4-6-8-14;1-11(2)14-9-8-12(3)15(10-14)13-6-4-5-7-13/h9-12,14H,4-8H2,1-3H3;8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene?
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene has a molecular weight of 418.71 g/mol, XLogP of 9.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 143471865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).