1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene

C13H20O2 — CID 70873349

IUPAC1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene
SMILESCOCC1=CC2=C(CCCC2)C1COC
InChIInChI=1S/C13H20O2/c1-14-8-11-7-10-5-3-4-6-12(10)13(11)9-15-2/h7,13H,3-6,8-9H2,1-2H3
InChIKeySWRZWIJSQRJBQT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.71
Rot. Bonds4

About 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene

1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene (PubChem CID 70873349) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene
PubChem CID70873349
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene
SMILESCOCC1=CC2=C(CCCC2)C1COC
InChIInChI=1S/C13H20O2/c1-14-8-11-7-10-5-3-4-6-12(10)13(11)9-15-2/h7,13H,3-6,8-9H2,1-2H3
InChIKeySWRZWIJSQRJBQT-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 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene (CID 70873349) is 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene is COCC1=CC2=C(CCCC2)C1COC.
What is the InChIKey of 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is SWRZWIJSQRJBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-14-8-11-7-10-5-3-4-6-12(10)13(11)9-15-2/h7,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene?
1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene 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 1,2-bis(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 70873349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).