1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione

C16H22O5 — CID 547948

IUPAC1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione
SMILESCOCCOCOC12CC(=O)CC1(C)C1CC(=O)C3C1C32
InChIInChI=1S/C16H22O5/c1-15-6-9(17)7-16(15,21-8-20-4-3-19-2)14-12-10(15)5-11(18)13(12)14/h10,12-14H,3-8H2,1-2H3
InChIKeyIELKLAWPIXZPMW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.20
Rot. Bonds6

About 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione

1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione (PubChem CID 547948) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione.

Molecular Properties

Compound Name1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione
PubChem CID547948
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione
SMILESCOCCOCOC12CC(=O)CC1(C)C1CC(=O)C3C1C32
InChIInChI=1S/C16H22O5/c1-15-6-9(17)7-16(15,21-8-20-4-3-19-2)14-12-10(15)5-11(18)13(12)14/h10,12-14H,3-8H2,1-2H3
InChIKeyIELKLAWPIXZPMW-UHFFFAOYSA-N
XLogP1.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,3R,6R,7R,8S)-6-(2-methoxyethoxymethoxy)-7,10,10-trimethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
CID 11220560
(1S,2S,3R,4S,6R,7R,8S)-6-(2-methoxyethoxymethoxy)-7,10,10-trimethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
CID 10946773
(1R,4S,5S,6S,8R,9R)-9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.01,5.04,6]undecan-3-one
CID 177930461
Tetracyclo[6.3.0.0(2,11).0(3,7)]undecan-10-one, 6-(2-methoxyethyloxymethyloxy)-7-methyl-
CID 547950
Tetracyclo[5.3.1.0(2,6).0(8,11)]undecan-4-one, 6-methoxy-2-methyl-
CID 589666
1-[6-(2-Methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone
CID 20593603
(1'R,2'S,3'R,4'R,7'S,8'R)-3',6',6'-trimethylspiro[1,3-dioxolane-2,9'-tetracyclo[6.3.0.02,4.03,7]undecane]-5'-one
CID 11118878
(1S,2S,3R,4R,6R,7R,8S)-6-(2-methoxyethoxymethoxy)-7,10,10-trimethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
CID 15971575
(1'R,3'R,4'S,7'S,8'R)-3',6',6'-trimethylspiro[1,3-dioxolane-2,9'-tetracyclo[6.3.0.02,4.03,7]undecane]-5'-one
CID 23230036
(1'S,3'S,7'R,8'S)-3',6',6'-trimethylspiro[1,3-dioxolane-2,9'-tetracyclo[6.3.0.02,4.03,7]undecane]-5'-one
CID 101702297

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione?
The IUPAC name of 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione (CID 547948) is 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione.
What is the SMILES notation for 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione?
The canonical SMILES for 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione is COCCOCOC12CC(=O)CC1(C)C1CC(=O)C3C1C32.
What is the InChIKey of 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione?
The InChIKey is IELKLAWPIXZPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-15-6-9(17)7-16(15,21-8-20-4-3-19-2)14-12-10(15)5-11(18)13(12)14/h10,12-14H,3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione?
1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione has a molecular weight of 294.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecane-5,10-dione is sourced from PubChem (CID 547948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).