1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene

C13H20O2 — CID 22140499

IUPAC1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene
SMILESCOCC1(COC)C=CC2=C1CCCC2
InChIInChI=1S/C13H20O2/c1-14-9-13(10-15-2)8-7-11-5-3-4-6-12(11)13/h7-8H,3-6,9-10H2,1-2H3
InChIKeyZKXOLTKRGCQGJN-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.71
Rot. Bonds4

About 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene

1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene (PubChem CID 22140499) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene.

Molecular Properties

Compound Name1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene
PubChem CID22140499
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene
SMILESCOCC1(COC)C=CC2=C1CCCC2
InChIInChI=1S/C13H20O2/c1-14-9-13(10-15-2)8-7-11-5-3-4-6-12(11)13/h7-8H,3-6,9-10H2,1-2H3
InChIKeyZKXOLTKRGCQGJN-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene?
The IUPAC name of 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene (CID 22140499) is 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene.
What is the SMILES notation for 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene?
The canonical SMILES for 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene is COCC1(COC)C=CC2=C1CCCC2.
What is the InChIKey of 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene?
The InChIKey is ZKXOLTKRGCQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-14-9-13(10-15-2)8-7-11-5-3-4-6-12(11)13/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene?
1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene has a molecular weight of 208.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methoxymethyl)-4,5,6,7-tetrahydroindene is sourced from PubChem (CID 22140499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).