1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene

C22H32 — CID 160825840

IUPAC1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene
SMILESCCC(C)(CC)c1c(C)c(C)c2c(C)cc(C)c(C)c2c1C
InChIInChI=1S/C22H32/c1-10-22(9,11-2)21-17(7)16(6)19-14(4)12-13(3)15(5)20(19)18(21)8/h12H,10-11H2,1-9H3
InChIKeyIBFBNGOCSDJXPA-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.77
Rot. Bonds3

About 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene

1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene (PubChem CID 160825840) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene.

Molecular Properties

Compound Name1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene
PubChem CID160825840
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene
SMILESCCC(C)(CC)c1c(C)c(C)c2c(C)cc(C)c(C)c2c1C
InChIInChI=1S/C22H32/c1-10-22(9,11-2)21-17(7)16(6)19-14(4)12-13(3)15(5)20(19)18(21)8/h12H,10-11H2,1-9H3
InChIKeyIBFBNGOCSDJXPA-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene
CID 90880331
1,2,4,5-tetramethyl-3-[2-(2,3,5,6-tetramethylphenyl)propan-2-yl]benzene
CID 20693384
1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene
CID 157426678
3-(1,1-difluoropropyl)-1,2,4,5-tetramethylbenzene
CID 116841250
1,2,3,4,5,6,8,9-octamethylpyrene
CID 59510094
1,2,3,4,5,6,8-heptamethylpyrene
CID 59510141
3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene
CID 590260
3,4,5,6,7,8-hexamethylnaphthalen-1-ol
CID 20665127
1,2,3,4,5,6,7,9,10-nonamethylpyrene
CID 59510092
4-N,4-N-bis[3-methyl-4-(3-methylpentan-3-yl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 142315325
6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene
CID 159661807
N-methyl-2-(2,3,5,6-tetramethylphenyl)propan-2-amine
CID 82283215

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene?
The IUPAC name of 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene (CID 160825840) is 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene.
What is the SMILES notation for 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene?
The canonical SMILES for 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene is CCC(C)(CC)c1c(C)c(C)c2c(C)cc(C)c(C)c2c1C.
What is the InChIKey of 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene?
The InChIKey is IBFBNGOCSDJXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-10-22(9,11-2)21-17(7)16(6)19-14(4)12-13(3)15(5)20(19)18(21)8/h12H,10-11H2,1-9H3.
What are the key properties of 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene?
1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene has a molecular weight of 296.50 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene is sourced from PubChem (CID 160825840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).