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

C21H30 — CID 58500279

IUPAC1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene
SMILES[3H]C(C)(C)Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C21H30/c1-11(2)10-19-14(5)17(8)20-15(6)12(3)13(4)16(7)21(20)18(19)9/h11H,10H2,1-9H3/i11T
InChIKeyCCIGHDPIDXVRFS-KNWSOFMKSA-N
MW284.48 g/mol
LogP6.20
Rot. Bonds2

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

1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene (PubChem CID 58500279) has the molecular formula C21H30 and a molecular weight of 284.48 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene
PubChem CID58500279
Molecular FormulaC21H30
Molecular Weight284.48 g/mol
Exact Mass284.24
IUPAC Name1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene
SMILES[3H]C(C)(C)Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C21H30/c1-11(2)10-19-14(5)17(8)20-15(6)12(3)13(4)16(7)21(20)18(19)9/h11H,10H2,1-9H3/i11T
InChIKeyCCIGHDPIDXVRFS-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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene?
The IUPAC name of 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene (CID 58500279) is 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene?
The canonical SMILES for 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene is [3H]C(C)(C)Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.
What is the InChIKey of 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene?
The InChIKey is CCIGHDPIDXVRFS-KNWSOFMKSA-N. The full InChI is InChI=1S/C21H30/c1-11(2)10-19-14(5)17(8)20-15(6)12(3)13(4)16(7)21(20)18(19)9/h11H,10H2,1-9H3/i11T.
What are the key properties of 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene?
1,2,3,4,5,6,8-heptamethyl-7-(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 1,2,3,4,5,6,8-heptamethyl-7-(2-methyl-2-tritiopropyl)naphthalene is sourced from PubChem (CID 58500279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).