1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene

C64H114OS — CID 157235793

IUPAC1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene
SMILESCC(C)C1(C(C)C)CCC1.CC(C)C1CC(C(C)C)C1.CC(C)C1CCC(C(C)C)CC1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1
InChIInChI=1S/C12H24.C12H18.C10H16O.C10H16S.2C10H20/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(6-9)8(3)4;1-8(2)10(9(3)4)6-5-7-10/h9-12H,5-8H2,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3
InChIKeyAUPSWZQWBVMARU-UHFFFAOYSA-N
MW931.68 g/mol
LogP22.35
Rot. Bonds12

About 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene

1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene (PubChem CID 157235793) has the molecular formula C64H114OS and a molecular weight of 931.68 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene
PubChem CID157235793
Molecular FormulaC64H114OS
Molecular Weight931.68 g/mol
Exact Mass930.86
IUPAC Name1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene
SMILESCC(C)C1(C(C)C)CCC1.CC(C)C1CC(C(C)C)C1.CC(C)C1CCC(C(C)C)CC1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1
InChIInChI=1S/C12H24.C12H18.C10H16O.C10H16S.2C10H20/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(6-9)8(3)4;1-8(2)10(9(3)4)6-5-7-10/h9-12H,5-8H2,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3
InChIKeyAUPSWZQWBVMARU-UHFFFAOYSA-N
XLogP22.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.68
LogP ≤ 522.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
CID 167644574
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
CID 158687824
1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane
CID 163492322
2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
CID 167589359
2,5-di(propan-2-yl)thiophene
CID 6429946
cumene;2,3-dimethylbutane;propan-2-ylcyclopropane;2-propan-2-ylthiophene
CID 159329708
4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 55186583
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43103205
cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane
CID 157078538
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
2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561254

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene?
The IUPAC name of 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene (CID 157235793) is 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene is CC(C)C1(C(C)C)CCC1.CC(C)C1CC(C(C)C)C1.CC(C)C1CCC(C(C)C)CC1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.
What is the InChIKey of 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene?
The InChIKey is AUPSWZQWBVMARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C12H18.C10H16O.C10H16S.2C10H20/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(6-9)8(3)4;1-8(2)10(9(3)4)6-5-7-10/h9-12H,5-8H2,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene?
1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene has a molecular weight of 931.68 g/mol, XLogP of 22.35, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)benzene;1,1-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclobutane;1,4-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 157235793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).