7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene

C12H20O2 — CID 542594

IUPAC7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene
SMILESCOCOC1C=C2CCCCC2CC1
InChIInChI=1S/C12H20O2/c1-13-9-14-12-7-6-10-4-2-3-5-11(10)8-12/h8,10,12H,2-7,9H2,1H3
InChIKeyFRTLEMKMFNSQPP-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

About 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene

7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene (PubChem CID 542594) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene.

Molecular Properties

Compound Name7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene
PubChem CID542594
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene
SMILESCOCOC1C=C2CCCCC2CC1
InChIInChI=1S/C12H20O2/c1-13-9-14-12-7-6-10-4-2-3-5-11(10)8-12/h8,10,12H,2-7,9H2,1H3
InChIKeyFRTLEMKMFNSQPP-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
CID 11106628
8a-Methoxy-4a,5,6,7,8,8a-hexahydrochromene
CID 129871280
4-Cyclohexyl-4,7-dihydro-1,3-dioxepine
CID 135085685
3-Methoxymethoxy-1,5,5-trimethyl-cyclohexene
CID 542405
Cyclohexene, 4-isopropenyl-1-methoxymethoxymethyl-
CID 542456
1-(1-Methoxymethoxyethyl)cyclohexene
CID 542494
[(2S,4aS)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl] acetate
CID 21632787
2-Naphthalenol, 2,3,4,4a,5,6,7,8-octahydro-, acetate, trans-
CID 165352818
(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran
CID 59026964
5-Pentadecyl-3-[(3-pentadecylcyclohexyl)oxymethoxy]cyclohexene
CID 59639999
4-methylspiro[4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine-2,3'-cyclohexene]
CID 66926269
2-(2,6-dimethylhept-5-enyl)-6-methoxy-3,6-dihydro-2H-pyran
CID 68708529

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The IUPAC name of 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene (CID 542594) is 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene.
What is the SMILES notation for 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The canonical SMILES for 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene is COCOC1C=C2CCCCC2CC1.
What is the InChIKey of 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The InChIKey is FRTLEMKMFNSQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-13-9-14-12-7-6-10-4-2-3-5-11(10)8-12/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene?
7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene has a molecular weight of 196.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene is sourced from PubChem (CID 542594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).