5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene

C16H18O — CID 58283493

IUPAC5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene
SMILESCC(C)OCc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H18O/c1-11(2)17-10-14-9-8-13-7-6-12-4-3-5-15(14)16(12)13/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyWDDFXHIJFZSKIU-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.86
Rot. Bonds3

About 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene

5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene (PubChem CID 58283493) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene
PubChem CID58283493
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene
SMILESCC(C)OCc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H18O/c1-11(2)17-10-14-9-8-13-7-6-12-4-3-5-15(14)16(12)13/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyWDDFXHIJFZSKIU-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene?
The IUPAC name of 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene (CID 58283493) is 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene is CC(C)OCc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene?
The InChIKey is WDDFXHIJFZSKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11(2)17-10-14-9-8-13-7-6-12-4-3-5-15(14)16(12)13/h3-5,8-9,11H,6-7,10H2,1-2H3.
What are the key properties of 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene?
5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene has a molecular weight of 226.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethyl)-1,2-dihydroacenaphthylene is sourced from PubChem (CID 58283493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).