1,2-di(butan-2-yl)-3,4-dimethylnaphthalene

C20H28 — CID 3020866

IUPAC1,2-di(butan-2-yl)-3,4-dimethylnaphthalene
SMILESCCC(C)c1c(C)c(C)c2ccccc2c1C(C)CC
InChIInChI=1S/C20H28/c1-7-13(3)19-16(6)15(5)17-11-9-10-12-18(17)20(19)14(4)8-2/h9-14H,7-8H2,1-6H3
InChIKeyXSAHKZLTMQUPIO-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.48
Rot. Bonds4

About 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene

1,2-di(butan-2-yl)-3,4-dimethylnaphthalene (PubChem CID 3020866) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene.

Molecular Properties

Compound Name1,2-di(butan-2-yl)-3,4-dimethylnaphthalene
PubChem CID3020866
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name1,2-di(butan-2-yl)-3,4-dimethylnaphthalene
SMILESCCC(C)c1c(C)c(C)c2ccccc2c1C(C)CC
InChIInChI=1S/C20H28/c1-7-13(3)19-16(6)15(5)17-11-9-10-12-18(17)20(19)14(4)8-2/h9-14H,7-8H2,1-6H3
InChIKeyXSAHKZLTMQUPIO-UHFFFAOYSA-N
XLogP6.48
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 ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene?
The IUPAC name of 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene (CID 3020866) is 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene.
What is the SMILES notation for 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene?
The canonical SMILES for 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene is CCC(C)c1c(C)c(C)c2ccccc2c1C(C)CC.
What is the InChIKey of 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene?
The InChIKey is XSAHKZLTMQUPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-7-13(3)19-16(6)15(5)17-11-9-10-12-18(17)20(19)14(4)8-2/h9-14H,7-8H2,1-6H3.
What are the key properties of 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene?
1,2-di(butan-2-yl)-3,4-dimethylnaphthalene has a molecular weight of 268.44 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(butan-2-yl)-3,4-dimethylnaphthalene is sourced from PubChem (CID 3020866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).