1,1-dimethoxy-4,5,6,7-tetrahydroindene

C11H16O2 — CID 150149680

IUPAC1,1-dimethoxy-4,5,6,7-tetrahydroindene
SMILESCOC1(OC)C=CC2=C1CCCC2
InChIInChI=1S/C11H16O2/c1-12-11(13-2)8-7-9-5-3-4-6-10(9)11/h7-8H,3-6H2,1-2H3
InChIKeyFEZJZKQZORVZRF-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.42
Rot. Bonds2

About 1,1-dimethoxy-4,5,6,7-tetrahydroindene

1,1-dimethoxy-4,5,6,7-tetrahydroindene (PubChem CID 150149680) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,1-dimethoxy-4,5,6,7-tetrahydroindene.

Molecular Properties

Compound Name1,1-dimethoxy-4,5,6,7-tetrahydroindene
PubChem CID150149680
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1,1-dimethoxy-4,5,6,7-tetrahydroindene
SMILESCOC1(OC)C=CC2=C1CCCC2
InChIInChI=1S/C11H16O2/c1-12-11(13-2)8-7-9-5-3-4-6-10(9)11/h7-8H,3-6H2,1-2H3
InChIKeyFEZJZKQZORVZRF-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1-dimethoxy-4,5,6,7-tetrahydroindene?
The IUPAC name of 1,1-dimethoxy-4,5,6,7-tetrahydroindene (CID 150149680) is 1,1-dimethoxy-4,5,6,7-tetrahydroindene.
What is the SMILES notation for 1,1-dimethoxy-4,5,6,7-tetrahydroindene?
The canonical SMILES for 1,1-dimethoxy-4,5,6,7-tetrahydroindene is COC1(OC)C=CC2=C1CCCC2.
What is the InChIKey of 1,1-dimethoxy-4,5,6,7-tetrahydroindene?
The InChIKey is FEZJZKQZORVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-12-11(13-2)8-7-9-5-3-4-6-10(9)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1-dimethoxy-4,5,6,7-tetrahydroindene?
1,1-dimethoxy-4,5,6,7-tetrahydroindene has a molecular weight of 180.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-4,5,6,7-tetrahydroindene is sourced from PubChem (CID 150149680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).