6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

C17H24O3 — CID 11346437

IUPAC6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCOc1cc(C)c2c(c1C(C)C)CC(C)CC2=O
InChIInChI=1S/C17H24O3/c1-10(2)16-13-6-11(3)7-14(18)17(13)12(4)8-15(16)20-9-19-5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyWRJGGPBCZDLXFH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.87
Rot. Bonds4

About 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11346437) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11346437
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOCOc1cc(C)c2c(c1C(C)C)CC(C)CC2=O
InChIInChI=1S/C17H24O3/c1-10(2)16-13-6-11(3)7-14(18)17(13)12(4)8-15(16)20-9-19-5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyWRJGGPBCZDLXFH-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one (CID 11346437) is 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one is COCOc1cc(C)c2c(c1C(C)C)CC(C)CC2=O.
What is the InChIKey of 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WRJGGPBCZDLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-10(2)16-13-6-11(3)7-14(18)17(13)12(4)8-15(16)20-9-19-5/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?
6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 276.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11346437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).