2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene

C30H34O — CID 57148358

IUPAC2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene
SMILESCCC(C)(COCC(C)(CC)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C30H34O/c1-5-29(3,27-17-15-23-11-7-9-13-25(23)19-27)21-31-22-30(4,6-2)28-18-16-24-12-8-10-14-26(24)20-28/h7-20H,5-6,21-22H2,1-4H3
InChIKeyJLYNYVWFSBGGFZ-UHFFFAOYSA-N
MW410.60 g/mol
LogP8.05
Rot. Bonds8

About 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene

2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene (PubChem CID 57148358) has the molecular formula C30H34O and a molecular weight of 410.60 g/mol. Its IUPAC name is 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene.

Molecular Properties

Compound Name2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene
PubChem CID57148358
Molecular FormulaC30H34O
Molecular Weight410.60 g/mol
Exact Mass410.26
IUPAC Name2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene
SMILESCCC(C)(COCC(C)(CC)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C30H34O/c1-5-29(3,27-17-15-23-11-7-9-13-25(23)19-27)21-31-22-30(4,6-2)28-18-16-24-12-8-10-14-26(24)20-28/h7-20H,5-6,21-22H2,1-4H3
InChIKeyJLYNYVWFSBGGFZ-UHFFFAOYSA-N
XLogP8.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene?
The IUPAC name of 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene (CID 57148358) is 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene.
What is the SMILES notation for 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene?
The canonical SMILES for 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene is CCC(C)(COCC(C)(CC)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene?
The InChIKey is JLYNYVWFSBGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O/c1-5-29(3,27-17-15-23-11-7-9-13-25(23)19-27)21-31-22-30(4,6-2)28-18-16-24-12-8-10-14-26(24)20-28/h7-20H,5-6,21-22H2,1-4H3.
What are the key properties of 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene?
2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene has a molecular weight of 410.60 g/mol, XLogP of 8.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene is sourced from PubChem (CID 57148358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).