1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene

C87H140O — CID 163534886

IUPAC1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
SMILESCC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCC1C(C)C.CC(C)c1ccc(C(C)(C)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H28.C18H22O.C12H24.C12H18.2C12H24/c1-15(2)17-7-11-19(12-8-17)21(5,6)20-13-9-18(10-14-20)16(3)4;1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4/h7-16H,1-6H3;5-14H,1-4H3;9-12H,5-8H2,1-4H3;5-10H,1-4H3;2*9-12H,5-8H2,1-4H3
InChIKeyDWCGKPXGZWKONJ-UHFFFAOYSA-N
MW1202.08 g/mol
LogP28.23
Rot. Bonds16

About 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene

1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene (PubChem CID 163534886) has the molecular formula C87H140O and a molecular weight of 1202.08 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
PubChem CID163534886
Molecular FormulaC87H140O
Molecular Weight1202.08 g/mol
Exact Mass1201.09
IUPAC Name1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
SMILESCC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCC1C(C)C.CC(C)c1ccc(C(C)(C)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H28.C18H22O.C12H24.C12H18.2C12H24/c1-15(2)17-7-11-19(12-8-17)21(5,6)20-13-9-18(10-14-20)16(3)4;1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4/h7-16H,1-6H3;5-14H,1-4H3;9-12H,5-8H2,1-4H3;5-10H,1-4H3;2*9-12H,5-8H2,1-4H3
InChIKeyDWCGKPXGZWKONJ-UHFFFAOYSA-N
XLogP28.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.08
LogP ≤ 528.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene?
The IUPAC name of 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene (CID 163534886) is 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene is CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCCC1C(C)C.CC(C)c1ccc(C(C)(C)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene?
The InChIKey is DWCGKPXGZWKONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28.C18H22O.C12H24.C12H18.2C12H24/c1-15(2)17-7-11-19(12-8-17)21(5,6)20-13-9-18(10-14-20)16(3)4;1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4/h7-16H,1-6H3;5-14H,1-4H3;9-12H,5-8H2,1-4H3;5-10H,1-4H3;2*9-12H,5-8H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene?
1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene has a molecular weight of 1202.08 g/mol, XLogP of 28.23, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 163534886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).