2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene

C19H26 — CID 171579039

IUPAC2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene
SMILESCc1ccc2c(C(C)C)cc(C(C)(C)C)c(C)c2c1
InChIInChI=1S/C19H26/c1-12(2)16-11-18(19(5,6)7)14(4)17-10-13(3)8-9-15(16)17/h8-12H,1-7H3
InChIKeyOMAATSDPCAWABY-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.88
Rot. Bonds1

About 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene

2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene (PubChem CID 171579039) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene.

Molecular Properties

Compound Name2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene
PubChem CID171579039
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene
SMILESCc1ccc2c(C(C)C)cc(C(C)(C)C)c(C)c2c1
InChIInChI=1S/C19H26/c1-12(2)16-11-18(19(5,6)7)14(4)17-10-13(3)8-9-15(16)17/h8-12H,1-7H3
InChIKeyOMAATSDPCAWABY-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene
CID 89220964
1,6-dimethyl-4-propan-2-ylnaphthalene
CID 10225
7-methyl-2,4-di(propan-2-yl)naphthalene-1-sulfonic acid
CID 58734536
4-tert-butyl-2,6-dimethylisoquinolin-1-one
CID 115063422
2,4-ditert-butyl-1,6,7-trimethylnaphthalene
CID 171579051
1-chloro-6-methyl-4-propan-2-ylisoquinoline
CID 115063224
1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,4-xylene
CID 161236987
1-tert-butyl-6-methylnaphthalene
CID 3019596
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
potassium 5-methyl-2-propan-2-ylphenolate
CID 23693969

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene?
The IUPAC name of 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene (CID 171579039) is 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene.
What is the SMILES notation for 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene?
The canonical SMILES for 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene is Cc1ccc2c(C(C)C)cc(C(C)(C)C)c(C)c2c1.
What is the InChIKey of 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene?
The InChIKey is OMAATSDPCAWABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-12(2)16-11-18(19(5,6)7)14(4)17-10-13(3)8-9-15(16)17/h8-12H,1-7H3.
What are the key properties of 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene?
2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene has a molecular weight of 254.42 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene is sourced from PubChem (CID 171579039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).