2,7-bis(2,2-dimethylpropyl)naphthalene

C20H28 — CID 147176407

IUPAC2,7-bis(2,2-dimethylpropyl)naphthalene
SMILESCC(C)(C)Cc1ccc2ccc(CC(C)(C)C)cc2c1
InChIInChI=1S/C20H28/c1-19(2,3)13-15-7-9-17-10-8-16(12-18(17)11-15)14-20(4,5)6/h7-12H,13-14H2,1-6H3
InChIKeyBYSRELOIKTTXFA-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.02
Rot. Bonds2

About 2,7-bis(2,2-dimethylpropyl)naphthalene

2,7-bis(2,2-dimethylpropyl)naphthalene (PubChem CID 147176407) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,7-bis(2,2-dimethylpropyl)naphthalene.

Molecular Properties

Compound Name2,7-bis(2,2-dimethylpropyl)naphthalene
PubChem CID147176407
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name2,7-bis(2,2-dimethylpropyl)naphthalene
SMILESCC(C)(C)Cc1ccc2ccc(CC(C)(C)C)cc2c1
InChIInChI=1S/C20H28/c1-19(2,3)13-15-7-9-17-10-8-16(12-18(17)11-15)14-20(4,5)6/h7-12H,13-14H2,1-6H3
InChIKeyBYSRELOIKTTXFA-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-6-(2,2-dimethylpropyl)naphthalene
CID 118494788
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
5-(2,2-dimethylpropyl)-1-methylindazole
CID 59139804
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
2,3-dichloro-7-(2,2-dimethylpropyl)quinoline
CID 155185194
2,3-dichloro-6-(2,2-dimethylpropyl)quinoline
CID 166974011
4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene
CID 59139797
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
2-tert-butyl-5-(2,2-dimethylpropyl)aniline
CID 142239267
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
CID 168841969
2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene
CID 59376441
2,4,6-tris[4-(2,2-dimethylpropyl)phenyl]-1,3,5-triazine
CID 140828529

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2,2-dimethylpropyl)naphthalene?
The IUPAC name of 2,7-bis(2,2-dimethylpropyl)naphthalene (CID 147176407) is 2,7-bis(2,2-dimethylpropyl)naphthalene.
What is the SMILES notation for 2,7-bis(2,2-dimethylpropyl)naphthalene?
The canonical SMILES for 2,7-bis(2,2-dimethylpropyl)naphthalene is CC(C)(C)Cc1ccc2ccc(CC(C)(C)C)cc2c1.
What is the InChIKey of 2,7-bis(2,2-dimethylpropyl)naphthalene?
The InChIKey is BYSRELOIKTTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-19(2,3)13-15-7-9-17-10-8-16(12-18(17)11-15)14-20(4,5)6/h7-12H,13-14H2,1-6H3.
What are the key properties of 2,7-bis(2,2-dimethylpropyl)naphthalene?
2,7-bis(2,2-dimethylpropyl)naphthalene has a molecular weight of 268.44 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2,2-dimethylpropyl)naphthalene is sourced from PubChem (CID 147176407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).