6-methyl-1,2,7-tri(propan-2-yl)naphthalene

C20H28 — CID 142283671

IUPAC6-methyl-1,2,7-tri(propan-2-yl)naphthalene
SMILESCc1cc2ccc(C(C)C)c(C(C)C)c2cc1C(C)C
InChIInChI=1S/C20H28/c1-12(2)17-9-8-16-10-15(7)18(13(3)4)11-19(16)20(17)14(5)6/h8-14H,1-7H3
InChIKeyACTJBYPEQKYIJR-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.52
Rot. Bonds3

About 6-methyl-1,2,7-tri(propan-2-yl)naphthalene

6-methyl-1,2,7-tri(propan-2-yl)naphthalene (PubChem CID 142283671) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-methyl-1,2,7-tri(propan-2-yl)naphthalene.

Molecular Properties

Compound Name6-methyl-1,2,7-tri(propan-2-yl)naphthalene
PubChem CID142283671
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name6-methyl-1,2,7-tri(propan-2-yl)naphthalene
SMILESCc1cc2ccc(C(C)C)c(C(C)C)c2cc1C(C)C
InChIInChI=1S/C20H28/c1-12(2)17-9-8-16-10-15(7)18(13(3)4)11-19(16)20(17)14(5)6/h8-14H,1-7H3
InChIKeyACTJBYPEQKYIJR-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene
CID 165025507
1,7-dimethyl-2,6-di(propan-2-yl)anthracene
CID 142283655
1,2-dimethyl-5,6-di(propan-2-yl)naphthalene
CID 142283660
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
1,2-di(propan-2-yl)naphthalene;1H-pyrrole
CID 175415753
5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine
CID 58462634
bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)naphthalene;2,3,6,7-tetra(propan-2-yl)naphthalene
CID 157080492
2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene
CID 177088440
4-chloro-9-methyl-8-propan-2-ylbenzo[f]isoquinoline
CID 162482600
1-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 144517655

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,7-tri(propan-2-yl)naphthalene?
The IUPAC name of 6-methyl-1,2,7-tri(propan-2-yl)naphthalene (CID 142283671) is 6-methyl-1,2,7-tri(propan-2-yl)naphthalene.
What is the SMILES notation for 6-methyl-1,2,7-tri(propan-2-yl)naphthalene?
The canonical SMILES for 6-methyl-1,2,7-tri(propan-2-yl)naphthalene is Cc1cc2ccc(C(C)C)c(C(C)C)c2cc1C(C)C.
What is the InChIKey of 6-methyl-1,2,7-tri(propan-2-yl)naphthalene?
The InChIKey is ACTJBYPEQKYIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-12(2)17-9-8-16-10-15(7)18(13(3)4)11-19(16)20(17)14(5)6/h8-14H,1-7H3.
What are the key properties of 6-methyl-1,2,7-tri(propan-2-yl)naphthalene?
6-methyl-1,2,7-tri(propan-2-yl)naphthalene has a molecular weight of 268.44 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,7-tri(propan-2-yl)naphthalene is sourced from PubChem (CID 142283671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).