1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane

C25H46 — CID 144560114

IUPAC1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane
SMILESC.CC(C)(C)CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C24H42.CH4/c1-21(2,3)16-20(24(10,11)12)17-13-18(22(4,5)6)15-19(14-17)23(7,8)9;/h13-15,20H,16H2,1-12H3;1H4
InChIKeyJVFZDPISDGRJCW-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.48
Rot. Bonds2

About 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane

1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane (PubChem CID 144560114) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane.

Molecular Properties

Compound Name1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane
PubChem CID144560114
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane
SMILESC.CC(C)(C)CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C24H42.CH4/c1-21(2,3)16-20(24(10,11)12)17-13-18(22(4,5)6)15-19(14-17)23(7,8)9;/h13-15,20H,16H2,1-12H3;1H4
InChIKeyJVFZDPISDGRJCW-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane
CID 145222909
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol
CID 71103144
3-(2,2,5,5-tetramethylhexan-3-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 144724062
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol
CID 126723379
2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene
CID 123479998
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane?
The IUPAC name of 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane (CID 144560114) is 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane.
What is the SMILES notation for 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane?
The canonical SMILES for 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane is C.CC(C)(C)CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane?
The InChIKey is JVFZDPISDGRJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42.CH4/c1-21(2,3)16-20(24(10,11)12)17-13-18(22(4,5)6)15-19(14-17)23(7,8)9;/h13-15,20H,16H2,1-12H3;1H4.
What are the key properties of 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane?
1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane has a molecular weight of 346.64 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane is sourced from PubChem (CID 144560114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).