5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one

C19H22O3 — CID 13184849

IUPAC5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one
SMILESCCOc1ccc2c(OCC)cc3c(c2c1)C(=O)CC3(C)C
InChIInChI=1S/C19H22O3/c1-5-21-12-7-8-13-14(9-12)18-15(10-17(13)22-6-2)19(3,4)11-16(18)20/h7-10H,5-6,11H2,1-4H3
InChIKeyRZLHEOBPXMWDSQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.50
Rot. Bonds4

About 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one

5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one (PubChem CID 13184849) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one.

Molecular Properties

Compound Name5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one
PubChem CID13184849
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one
SMILESCCOc1ccc2c(OCC)cc3c(c2c1)C(=O)CC3(C)C
InChIInChI=1S/C19H22O3/c1-5-21-12-7-8-13-14(9-12)18-15(10-17(13)22-6-2)19(3,4)11-16(18)20/h7-10H,5-6,11H2,1-4H3
InChIKeyRZLHEOBPXMWDSQ-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one?
The IUPAC name of 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one (CID 13184849) is 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one.
What is the SMILES notation for 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one?
The canonical SMILES for 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one is CCOc1ccc2c(OCC)cc3c(c2c1)C(=O)CC3(C)C.
What is the InChIKey of 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one?
The InChIKey is RZLHEOBPXMWDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-5-21-12-7-8-13-14(9-12)18-15(10-17(13)22-6-2)19(3,4)11-16(18)20/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one?
5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one has a molecular weight of 298.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethoxy-3,3-dimethyl-2H-cyclopenta[a]naphthalen-1-one is sourced from PubChem (CID 13184849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).