1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene

C21H30 — CID 58500266

IUPAC1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene
SMILES[3H]C(C)(C)Cc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C21H30/c1-11(2)10-19-15(6)14(5)17(8)20-16(7)12(3)13(4)18(9)21(19)20/h11H,10H2,1-9H3/i11T
InChIKeyLSYFYFGUJWRNPY-KNWSOFMKSA-N
MW284.48 g/mol
LogP6.20
Rot. Bonds2

About 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene

1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene (PubChem CID 58500266) has the molecular formula C21H30 and a molecular weight of 284.48 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene
PubChem CID58500266
Molecular FormulaC21H30
Molecular Weight284.48 g/mol
Exact Mass284.24
IUPAC Name1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene
SMILES[3H]C(C)(C)Cc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C21H30/c1-11(2)10-19-15(6)14(5)17(8)20-16(7)12(3)13(4)18(9)21(19)20/h11H,10H2,1-9H3/i11T
InChIKeyLSYFYFGUJWRNPY-KNWSOFMKSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene
CID 58500279
[2,3,4,6,7,8,9,10-octamethyl-5-(sulfanylmethyl)anthracen-1-yl]methanethiol
CID 121337398
1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene
CID 159624345
1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene
CID 159127146
1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene
CID 59816825
1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol
CID 129267856
4,5,7,8-tetramethyl-6-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridazine
CID 158982943
1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene
CID 91872066
3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid
CID 59872938
2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)
CID 91486771
1,3-bis(bromomethyl)-2,4,5,6-tetramethylbenzene
CID 12721345
sodium (2,3,4,5,6-pentamethylphenyl)methanethiolate
CID 59908163

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene?
The IUPAC name of 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene (CID 58500266) is 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene.
What is the SMILES notation for 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene?
The canonical SMILES for 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene is [3H]C(C)(C)Cc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12.
What is the InChIKey of 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene?
The InChIKey is LSYFYFGUJWRNPY-KNWSOFMKSA-N. The full InChI is InChI=1S/C21H30/c1-11(2)10-19-15(6)14(5)17(8)20-16(7)12(3)13(4)18(9)21(19)20/h11H,10H2,1-9H3/i11T.
What are the key properties of 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene?
1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene has a molecular weight of 284.48 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene is sourced from PubChem (CID 58500266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).