6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

C12H16O3 — CID 178078393

IUPAC6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCOCOC1=CC=C2C(=O)CCCC2C1
InChIInChI=1S/C12H16O3/c1-14-8-15-10-5-6-11-9(7-10)3-2-4-12(11)13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyGZVWTRUYKAKRMO-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.19
Rot. Bonds3

About 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (PubChem CID 178078393) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
PubChem CID178078393
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCOCOC1=CC=C2C(=O)CCCC2C1
InChIInChI=1S/C12H16O3/c1-14-8-15-10-5-6-11-9(7-10)3-2-4-12(11)13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyGZVWTRUYKAKRMO-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.19
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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Related Compounds

4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
(3R,4aS)-3-ethoxy-3,4,4a,5,6,7-hexahydroisochromen-8-one
CID 134897873
7-methoxy-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
CID 13905843
6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 70000980
6,7-dimethoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 141045357
6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 150177860
6-Methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one
CID 176893165
6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 176893172
7-bromo-6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 176906372
6-methoxy-3-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 176914909
8-bromo-6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 178078392
7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 10943323

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (CID 178078393) is 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is COCOC1=CC=C2C(=O)CCCC2C1.
What is the InChIKey of 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The InChIKey is GZVWTRUYKAKRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-8-15-10-5-6-11-9(7-10)3-2-4-12(11)13/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 178078393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).