5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one

C20H32O5 — CID 163044189

IUPAC5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one
SMILESCOC1(C)CCC23OC1CC2(C)CCC3C(C)COC1CCC(=O)O1
InChIInChI=1S/C20H32O5/c1-13(12-23-17-6-5-16(21)24-17)14-7-8-18(2)11-15-19(3,22-4)9-10-20(14,18)25-15/h13-15,17H,5-12H2,1-4H3
InChIKeyJZLCLJJMCZVNMU-UHFFFAOYSA-N
MW352.47 g/mol
LogP3.45
Rot. Bonds5

About 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one

5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one (PubChem CID 163044189) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one.

Molecular Properties

Compound Name5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one
PubChem CID163044189
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one
SMILESCOC1(C)CCC23OC1CC2(C)CCC3C(C)COC1CCC(=O)O1
InChIInChI=1S/C20H32O5/c1-13(12-23-17-6-5-16(21)24-17)14-7-8-18(2)11-15-19(3,22-4)9-10-20(14,18)25-15/h13-15,17H,5-12H2,1-4H3
InChIKeyJZLCLJJMCZVNMU-UHFFFAOYSA-N
XLogP3.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one with MolForge

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Related Compounds

(7R,8S)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
CID 5316317
[(2S)-2-[(1R,3aR,7aR)-3a,7a-dimethyl-4-oxo-1,2,3,5,6,7-hexahydroinden-1-yl]propyl] acetate
CID 78357896
5-phenylmethoxyoxolan-2-one
CID 67674906
(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one
CID 130877549
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
2-[(1R,3aR,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl acetate
CID 71098684
(1R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
CID 5320214
(1R,3aS,3bR,5aS,9aR,9bS,11aR)-3a,9a,11a-trimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]chromen-7-one
CID 131876103
5-(1-iodoethyl)oxolan-2-one
CID 101198694
(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
CID 10584814
2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one
CID 164881798

Frequently Asked Questions

What is the IUPAC name of 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one?
The IUPAC name of 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one (CID 163044189) is 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one.
What is the SMILES notation for 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one?
The canonical SMILES for 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one is COC1(C)CCC23OC1CC2(C)CCC3C(C)COC1CCC(=O)O1.
What is the InChIKey of 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one?
The InChIKey is JZLCLJJMCZVNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O5/c1-13(12-23-17-6-5-16(21)24-17)14-7-8-18(2)11-15-19(3,22-4)9-10-20(14,18)25-15/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one?
5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one has a molecular weight of 352.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(8-methoxy-5,8-dimethyl-11-oxatricyclo[5.3.1.01,5]undecan-2-yl)propoxy]oxolan-2-one is sourced from PubChem (CID 163044189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).