2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene

C36H72 — CID 159875963

IUPAC2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene
SMILESCC(C)CC(C)C.CC(C)CCC(C)C.CC(C)CCCC(C)C.CC(C)c1ccccc1C(C)C
InChIInChI=1S/C12H18.C9H20.C8H18.C7H16/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)6-5-7-9(3)4;1-7(2)5-6-8(3)4;1-6(2)5-7(3)4/h5-10H,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3
InChIKeyNSXHIDOHYRRPRW-UHFFFAOYSA-N
MW504.97 g/mol
LogP13.17
Rot. Bonds11

About 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene

2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene (PubChem CID 159875963) has the molecular formula C36H72 and a molecular weight of 504.97 g/mol. Its IUPAC name is 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene
PubChem CID159875963
Molecular FormulaC36H72
Molecular Weight504.97 g/mol
Exact Mass504.56
IUPAC Name2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene
SMILESCC(C)CC(C)C.CC(C)CCC(C)C.CC(C)CCCC(C)C.CC(C)c1ccccc1C(C)C
InChIInChI=1S/C12H18.C9H20.C8H18.C7H16/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)6-5-7-9(3)4;1-7(2)5-6-8(3)4;1-6(2)5-7(3)4/h5-10H,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3
InChIKeyNSXHIDOHYRRPRW-UHFFFAOYSA-N
XLogP13.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
2-(6-methylheptan-2-yl)phenol
CID 163037790
1-(3-methylbutyl)-2-propan-2-ylbenzene
CID 18417614
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
1-(2-tert-butylphenyl)-5-methylhexan-1-ol
CID 115829952
9-(4-methylpentyl)carbazole
CID 153073309
1-(2-propan-2-ylphenyl)pentan-1-amine
CID 171922235
benzene;2,3-dimethylbutane;2,6-dimethylheptane;ethane;methane;tetrakis(2-methylpropane);naphthalene;propane
CID 160639438
5-methyl-1-phenylhexan-1-ol
CID 10997859
1-(1,1-dideuterio-2-methylpropyl)-2-propan-2-ylbenzene
CID 167379247

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene?
The IUPAC name of 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene (CID 159875963) is 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene.
What is the SMILES notation for 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene?
The canonical SMILES for 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene is CC(C)CC(C)C.CC(C)CCC(C)C.CC(C)CCCC(C)C.CC(C)c1ccccc1C(C)C.
What is the InChIKey of 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene?
The InChIKey is NSXHIDOHYRRPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C9H20.C8H18.C7H16/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)6-5-7-9(3)4;1-7(2)5-6-8(3)4;1-6(2)5-7(3)4/h5-10H,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3.
What are the key properties of 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene?
2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene has a molecular weight of 504.97 g/mol, XLogP of 13.17, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene is sourced from PubChem (CID 159875963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).