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

C15H24O2 — CID 22140514

IUPAC1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene
SMILESCOCC1(COC)C=CC2=C1C(C)CCC2C
InChIInChI=1S/C15H24O2/c1-11-5-6-12(2)14-13(11)7-8-15(14,9-16-3)10-17-4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyOGMUHNYKQFIZMP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.20
Rot. Bonds4

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

1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene (PubChem CID 22140514) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene.

Molecular Properties

Compound Name1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene
PubChem CID22140514
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene
SMILESCOCC1(COC)C=CC2=C1C(C)CCC2C
InChIInChI=1S/C15H24O2/c1-11-5-6-12(2)14-13(11)7-8-15(14,9-16-3)10-17-4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyOGMUHNYKQFIZMP-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethenylidene-5,5-bis(methoxymethyl)-1-methyl-2-propan-2-ylcyclohexene
CID 101726768
5,5-Bis(methoxymethyl)-1,7-dimethyl-2,4,5,6-tetrahydro-1H-indene
CID 71367517
5,5-Bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene
CID 102149760
5-Ethenyl-3,3-bis(methoxymethyl)-1-methylcyclohexene
CID 135060488
(3S,4S)-2-ethenyl-4-methoxy-3-(methoxymethyl)-1,3-dimethylcyclohexene
CID 11789061
4,4-Bis(methoxymethyl)-6-methylidene-1-prop-1-en-2-ylcyclohexene
CID 12104346
(1S)-5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
CID 12104347
6-Ethenylidene-4,4-bis(methoxymethyl)-1-propan-2-ylcyclohexene
CID 85963688
5,5-Bis(methoxymethyl)-1-methyl-2-propan-2-yl-3-prop-1-enylidenecyclohexene
CID 101726765
1-(methoxymethyl)-2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 17839398
1-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indene
CID 17839410
9,9-Bis(methoxymethyl)-1,2,3,4,5,6,7,8-octahydrofluorene
CID 21972417

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene?
The IUPAC name of 1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene (CID 22140514) is 1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene.
What is the SMILES notation for 1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene?
The canonical SMILES for 1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene is COCC1(COC)C=CC2=C1C(C)CCC2C.
What is the InChIKey of 1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene?
The InChIKey is OGMUHNYKQFIZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-5-6-12(2)14-13(11)7-8-15(14,9-16-3)10-17-4/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene?
1,1-bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene has a molecular weight of 236.35 g/mol, XLogP of 3.20, 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)-4,7-dimethyl-4,5,6,7-tetrahydroindene is sourced from PubChem (CID 22140514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).