1-methoxy-1,2,4a,8a-tetrahydronaphthalene

C11H14O — CID 91401339

IUPAC1-methoxy-1,2,4a,8a-tetrahydronaphthalene
SMILESCOC1CC=CC2C=CC=CC21
InChIInChI=1S/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-7,9-11H,8H2,1H3
InChIKeyKOMJXOFTUAMTFF-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.32
Rot. Bonds1

About 1-methoxy-1,2,4a,8a-tetrahydronaphthalene

1-methoxy-1,2,4a,8a-tetrahydronaphthalene (PubChem CID 91401339) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-methoxy-1,2,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name1-methoxy-1,2,4a,8a-tetrahydronaphthalene
PubChem CID91401339
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-methoxy-1,2,4a,8a-tetrahydronaphthalene
SMILESCOC1CC=CC2C=CC=CC21
InChIInChI=1S/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-7,9-11H,8H2,1H3
InChIKeyKOMJXOFTUAMTFF-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Fluoro-6-(2-methoxypropyl)cyclohexa-1,3-diene
CID 70336640
2-Fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene
CID 70336642
(2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene
CID 174290480
(4aR)-3,4,4a,8a-tetrahydro-1H-isochromene
CID 134863218
(4aS)-3,4,4a,8a-tetrahydro-1H-isochromene
CID 134863327
1,2,4a,8a-Tetrahydronaphthalen-1-ol
CID 12755566
5-Methoxy-3-methylcyclohexene
CID 14113148
1-methyl-6,7,8,8a-tetrahydro-1H-isochromene
CID 57207295
4-Methoxy-5-methylcyclohexene
CID 59104462
1-Methoxy-4-methyl-4a,8a-dihydronaphthalene
CID 59700518
5-[(1S,2R)-2-methoxycyclopropyl]cyclohexa-1,3-diene
CID 68023036
5-Ethyl-6-(methoxymethyl)cyclohexa-1,3-diene
CID 68360864

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,2,4a,8a-tetrahydronaphthalene?
The IUPAC name of 1-methoxy-1,2,4a,8a-tetrahydronaphthalene (CID 91401339) is 1-methoxy-1,2,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 1-methoxy-1,2,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 1-methoxy-1,2,4a,8a-tetrahydronaphthalene is COC1CC=CC2C=CC=CC21.
What is the InChIKey of 1-methoxy-1,2,4a,8a-tetrahydronaphthalene?
The InChIKey is KOMJXOFTUAMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-7,9-11H,8H2,1H3.
What are the key properties of 1-methoxy-1,2,4a,8a-tetrahydronaphthalene?
1-methoxy-1,2,4a,8a-tetrahydronaphthalene has a molecular weight of 162.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,2,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 91401339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).