1,2,3,5-tetratert-butylbenzene

C22H38 — CID 18679123

IUPAC1,2,3,5-tetratert-butylbenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C22H38/c1-19(2,3)15-13-16(20(4,5)6)18(22(10,11)12)17(14-15)21(7,8)9/h13-14H,1-12H3
InChIKeyXJGJOIQRBZVSFH-UHFFFAOYSA-N
MW302.55 g/mol
LogP6.88
Rot. Bonds

About 1,2,3,5-tetratert-butylbenzene

1,2,3,5-tetratert-butylbenzene (PubChem CID 18679123) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 1,2,3,5-tetratert-butylbenzene.

Molecular Properties

Compound Name1,2,3,5-tetratert-butylbenzene
PubChem CID18679123
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name1,2,3,5-tetratert-butylbenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C22H38/c1-19(2,3)15-13-16(20(4,5)6)18(22(10,11)12)17(14-15)21(7,8)9/h13-14H,1-12H3
InChIKeyXJGJOIQRBZVSFH-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 174137288
CID 174137288
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
CID 15962849
CID 15962849
ditert-butyl-(2,4,6-tritert-butylphenyl)borane
CID 164988762
(2,4,6-tritert-butylphenyl)phosphinite
CID 101376141
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674
CID 135046337
CID 135046337
N-bis(2,4,6-tritert-butylanilino)gallanyl-2,4,6-tritert-butylaniline
CID 16709454
3,5-ditert-butyl-2-methylaniline
CID 143364631
1,2-ditert-butyl-3-[2-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326702
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetratert-butylbenzene?
The IUPAC name of 1,2,3,5-tetratert-butylbenzene (CID 18679123) is 1,2,3,5-tetratert-butylbenzene.
What is the SMILES notation for 1,2,3,5-tetratert-butylbenzene?
The canonical SMILES for 1,2,3,5-tetratert-butylbenzene is CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 1,2,3,5-tetratert-butylbenzene?
The InChIKey is XJGJOIQRBZVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-19(2,3)15-13-16(20(4,5)6)18(22(10,11)12)17(14-15)21(7,8)9/h13-14H,1-12H3.
What are the key properties of 1,2,3,5-tetratert-butylbenzene?
1,2,3,5-tetratert-butylbenzene has a molecular weight of 302.55 g/mol, XLogP of 6.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetratert-butylbenzene is sourced from PubChem (CID 18679123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).