(3,4-dimethyl-2-phenylhexan-2-yl)benzene

C20H26 — CID 154351099

IUPAC(3,4-dimethyl-2-phenylhexan-2-yl)benzene
SMILESCCC(C)C(C)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26/c1-5-16(2)17(3)20(4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17H,5H2,1-4H3
InChIKeyXOKCAIUVHDKSSJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.67
Rot. Bonds5

About (3,4-dimethyl-2-phenylhexan-2-yl)benzene

(3,4-dimethyl-2-phenylhexan-2-yl)benzene (PubChem CID 154351099) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is (3,4-dimethyl-2-phenylhexan-2-yl)benzene.

Molecular Properties

Compound Name(3,4-dimethyl-2-phenylhexan-2-yl)benzene
PubChem CID154351099
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name(3,4-dimethyl-2-phenylhexan-2-yl)benzene
SMILESCCC(C)C(C)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26/c1-5-16(2)17(3)20(4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17H,5H2,1-4H3
InChIKeyXOKCAIUVHDKSSJ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N,2,4-trimethyl-2-phenylhexan-3-amine
CID 79446708
2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
CID 79446921
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
(2-phenyl-3-propylhexan-2-yl)benzene
CID 139749619
tert-butylbenzene;3-ethyl-2-methylpentane
CID 177346689
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
CID 142554279
CID 142554279
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
3-methyl-2-phenylpentan-2-ol
CID 13024634

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2-phenylhexan-2-yl)benzene?
The IUPAC name of (3,4-dimethyl-2-phenylhexan-2-yl)benzene (CID 154351099) is (3,4-dimethyl-2-phenylhexan-2-yl)benzene.
What is the SMILES notation for (3,4-dimethyl-2-phenylhexan-2-yl)benzene?
The canonical SMILES for (3,4-dimethyl-2-phenylhexan-2-yl)benzene is CCC(C)C(C)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,4-dimethyl-2-phenylhexan-2-yl)benzene?
The InChIKey is XOKCAIUVHDKSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-5-16(2)17(3)20(4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17H,5H2,1-4H3.
What are the key properties of (3,4-dimethyl-2-phenylhexan-2-yl)benzene?
(3,4-dimethyl-2-phenylhexan-2-yl)benzene has a molecular weight of 266.43 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2-phenylhexan-2-yl)benzene is sourced from PubChem (CID 154351099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).