2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene

C20H32O4 — CID 135000877

IUPAC2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene
SMILESCOCC1(COC)CC2=CCC3CC(COC)(COC)CC3=C2C1
InChIInChI=1S/C20H32O4/c1-21-11-19(12-22-2)7-15-5-6-16-8-20(13-23-3,14-24-4)10-18(16)17(15)9-19/h5,16H,6-14H2,1-4H3
InChIKeyLSDGHQFCQODMAU-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.38
Rot. Bonds8

About 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene

2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene (PubChem CID 135000877) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene.

Molecular Properties

Compound Name2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene
PubChem CID135000877
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene
SMILESCOCC1(COC)CC2=CCC3CC(COC)(COC)CC3=C2C1
InChIInChI=1S/C20H32O4/c1-21-11-19(12-22-2)7-15-5-6-16-8-20(13-23-3,14-24-4)10-18(16)17(15)9-19/h5,16H,6-14H2,1-4H3
InChIKeyLSDGHQFCQODMAU-UHFFFAOYSA-N
XLogP3.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Bis(methoxymethyl)-1,7-dimethyl-2,4,5,6-tetrahydro-1H-indene
CID 71367517
2,2,7,7-tetrakis(methoxymethyl)-3a-methyl-3,4,6,8-tetrahydro-1H-as-indacene
CID 134999317
(1S)-5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
CID 12104347
(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane
CID 102356670
6,6-Bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene
CID 139660014
Cyclopenta-1,3-diene;3-cyclopentyl-1,1-bis(methoxymethyl)cyclopentane
CID 174746399
(4Z)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane
CID 101031939
(1S,2R)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene
CID 101726764
(1S,2S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene
CID 101726766
(1S)-1-ethyl-5,5-bis(methoxymethyl)-2,7-dimethyl-1,2,4,6-tetrahydroindene
CID 102149758
(4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane
CID 177418183

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene?
The IUPAC name of 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene (CID 135000877) is 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene.
What is the SMILES notation for 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene?
The canonical SMILES for 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene is COCC1(COC)CC2=CCC3CC(COC)(COC)CC3=C2C1.
What is the InChIKey of 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene?
The InChIKey is LSDGHQFCQODMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-21-11-19(12-22-2)7-15-5-6-16-8-20(13-23-3,14-24-4)10-18(16)17(15)9-19/h5,16H,6-14H2,1-4H3.
What are the key properties of 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene?
2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene has a molecular weight of 336.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene is sourced from PubChem (CID 135000877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).