1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene

C20H28 — CID 150801915

IUPAC1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene
SMILESCc1c(CC(C)C)c(CC(C)C)c2ccccc2c1C
InChIInChI=1S/C20H28/c1-13(2)11-19-16(6)15(5)17-9-7-8-10-18(17)20(19)12-14(3)4/h7-10,13-14H,11-12H2,1-6H3
InChIKeyKGASICANPIPVLL-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.85
Rot. Bonds4

About 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene

1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene (PubChem CID 150801915) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene.

Molecular Properties

Compound Name1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene
PubChem CID150801915
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene
SMILESCc1c(CC(C)C)c(CC(C)C)c2ccccc2c1C
InChIInChI=1S/C20H28/c1-13(2)11-19-16(6)15(5)17-9-7-8-10-18(17)20(19)12-14(3)4/h7-10,13-14H,11-12H2,1-6H3
InChIKeyKGASICANPIPVLL-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene?
The IUPAC name of 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene (CID 150801915) is 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene.
What is the SMILES notation for 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene?
The canonical SMILES for 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene is Cc1c(CC(C)C)c(CC(C)C)c2ccccc2c1C.
What is the InChIKey of 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene?
The InChIKey is KGASICANPIPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-13(2)11-19-16(6)15(5)17-9-7-8-10-18(17)20(19)12-14(3)4/h7-10,13-14H,11-12H2,1-6H3.
What are the key properties of 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene?
1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene has a molecular weight of 268.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,4-bis(2-methylpropyl)naphthalene is sourced from PubChem (CID 150801915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).