1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene

C19H24O — CID 89476069

IUPAC1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene
SMILESCCC(C)(C)Oc1ccc2c3c(cccc13)C(C)C2C
InChIInChI=1S/C19H24O/c1-6-19(4,5)20-17-11-10-15-13(3)12(2)14-8-7-9-16(17)18(14)15/h7-13H,6H2,1-5H3
InChIKeyNDOQQFYHKXBHDB-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.63
Rot. Bonds3

About 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene

1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene (PubChem CID 89476069) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene
PubChem CID89476069
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene
SMILESCCC(C)(C)Oc1ccc2c3c(cccc13)C(C)C2C
InChIInChI=1S/C19H24O/c1-6-19(4,5)20-17-11-10-15-13(3)12(2)14-8-7-9-16(17)18(14)15/h7-13H,6H2,1-5H3
InChIKeyNDOQQFYHKXBHDB-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene?
The IUPAC name of 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene (CID 89476069) is 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene.
What is the SMILES notation for 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene?
The canonical SMILES for 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene is CCC(C)(C)Oc1ccc2c3c(cccc13)C(C)C2C.
What is the InChIKey of 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene?
The InChIKey is NDOQQFYHKXBHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-6-19(4,5)20-17-11-10-15-13(3)12(2)14-8-7-9-16(17)18(14)15/h7-13H,6H2,1-5H3.
What are the key properties of 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene?
1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene has a molecular weight of 268.40 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(2-methylbutan-2-yloxy)-1,2-dihydroacenaphthylene is sourced from PubChem (CID 89476069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).