2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol

C38H66O7 — CID 58752619

IUPAC2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol
SMILESCCC1(COC2CC3CCC(OCC(CC)(CO)COC4CC5CCC(OCC6(CC)COC6)C(C)(C5)C4)C(C)(C3)C2)COC1
InChIInChI=1S/C38H66O7/c1-6-36(19-39,24-42-30-13-28-10-12-33(35(5,16-28)17-30)45-27-38(8-3)22-41-23-38)25-44-32-11-9-29-14-31(18-34(32,4)15-29)43-26-37(7-2)20-40-21-37/h28-33,39H,6-27H2,1-5H3
InChIKeyTZUGUNOUSLREOT-UHFFFAOYSA-N
MW634.94 g/mol
LogP6.97
Rot. Bonds16

About 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol

2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol (PubChem CID 58752619) has the molecular formula C38H66O7 and a molecular weight of 634.94 g/mol. Its IUPAC name is 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol.

Molecular Properties

Compound Name2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol
PubChem CID58752619
Molecular FormulaC38H66O7
Molecular Weight634.94 g/mol
Exact Mass634.48
IUPAC Name2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol
SMILESCCC1(COC2CC3CCC(OCC(CC)(CO)COC4CC5CCC(OCC6(CC)COC6)C(C)(C5)C4)C(C)(C3)C2)COC1
InChIInChI=1S/C38H66O7/c1-6-36(19-39,24-42-30-13-28-10-12-33(35(5,16-28)17-30)45-27-38(8-3)22-41-23-38)25-44-32-11-9-29-14-31(18-34(32,4)15-29)43-26-37(7-2)20-40-21-37/h28-33,39H,6-27H2,1-5H3
InChIKeyTZUGUNOUSLREOT-UHFFFAOYSA-N
XLogP6.97
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.94
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2,2-bis[[5-[(3-ethyloxetan-3-yl)methoxy]-1,4-dimethyl-2-bicyclo[2.2.1]heptanyl]oxymethyl]butan-1-ol
CID 58752595
2,2-bis[[5-[(3-ethyloxetan-3-yl)methoxy]-1,4-difluoro-2-bicyclo[2.2.1]heptanyl]oxymethyl]butan-1-ol
CID 58752634
2,2-bis[[5-[(3-ethyloxetan-3-yl)methoxy]-2-bicyclo[2.2.1]heptanyl]oxymethyl]butan-1-ol
CID 58752639
3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane
CID 70851374
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane
CID 157089919
2-[[3-ethyl-5-[(3-ethyloxetan-3-yl)methoxy]-1-tetracyclo[3.3.1.03,9.07,9]nonanyl]oxymethyl]-2-[[1-ethyl-7-[(3-ethyloxetan-3-yl)methoxy]-3-tricyclo[3.3.1.03,7]nonanyl]oxymethyl]butan-1-ol
CID 163481628
3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane
CID 59940311
2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol
CID 130308388
3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methoxy]-3,5-dimethylcyclohexyl]-2,6-dimethylcyclohexyl]oxymethyl]oxetane
CID 145474774
3-[[1,4-bis[(3-ethyloxetan-3-yl)methoxy]-8-tricyclo[5.2.1.02,6]decanyl]oxymethyl]-3-ethyloxetane
CID 23113171
3-[[3,5-bis[(3-ethyloxetan-3-yl)methoxymethyl]-1-adamantyl]methoxymethyl]-3-ethyloxetane
CID 23113178
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol?
The IUPAC name of 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol (CID 58752619) is 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol.
What is the SMILES notation for 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol?
The canonical SMILES for 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol is CCC1(COC2CC3CCC(OCC(CC)(CO)COC4CC5CCC(OCC6(CC)COC6)C(C)(C5)C4)C(C)(C3)C2)COC1.
What is the InChIKey of 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol?
The InChIKey is TZUGUNOUSLREOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H66O7/c1-6-36(19-39,24-42-30-13-28-10-12-33(35(5,16-28)17-30)45-27-38(8-3)22-41-23-38)25-44-32-11-9-29-14-31(18-34(32,4)15-29)43-26-37(7-2)20-40-21-37/h28-33,39H,6-27H2,1-5H3.
What are the key properties of 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol?
2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol has a molecular weight of 634.94 g/mol, XLogP of 6.97, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-2-bicyclo[3.3.1]nonanyl]oxymethyl]-2-[[8-[(3-ethyloxetan-3-yl)methoxy]-1-methyl-3-bicyclo[3.3.1]nonanyl]oxymethyl]butan-1-ol is sourced from PubChem (CID 58752619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).