5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene

C15H24O2 — CID 71367517

IUPAC5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
SMILESCOCC1(COC)CC2=CCC(C)C2=C(C)C1
InChIInChI=1S/C15H24O2/c1-11-5-6-13-8-15(9-16-3,10-17-4)7-12(2)14(11)13/h6,11H,5,7-10H2,1-4H3
InChIKeyNYRCXQIALLEREL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.34
Rot. Bonds4

About 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene

5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene (PubChem CID 71367517) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
PubChem CID71367517
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
SMILESCOCC1(COC)CC2=CCC(C)C2=C(C)C1
InChIInChI=1S/C15H24O2/c1-11-5-6-13-8-15(9-16-3,10-17-4)7-12(2)14(11)13/h6,11H,5,7-10H2,1-4H3
InChIKeyNYRCXQIALLEREL-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,8,8-tetrakis(methoxymethyl)-1,3,3a,4,7,9-hexahydrocyclopenta[e]azulen-5-one
CID 101022152
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4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene
CID 102044943
3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 146049054
[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol
CID 11557723
1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane
CID 59006413
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
CID 12721367
(4S)-4-methylcyclobuten-1-amine
CID 164996658
(3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene
CID 168880987
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CID 141062334
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CID 11441832

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene?
The IUPAC name of 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene (CID 71367517) is 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene?
The canonical SMILES for 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene is COCC1(COC)CC2=CCC(C)C2=C(C)C1.
What is the InChIKey of 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene?
The InChIKey is NYRCXQIALLEREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-5-6-13-8-15(9-16-3,10-17-4)7-12(2)14(11)13/h6,11H,5,7-10H2,1-4H3.
What are the key properties of 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene?
5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene has a molecular weight of 236.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene is sourced from PubChem (CID 71367517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).