9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one

C16H24O4 — CID 547950

IUPAC9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
SMILESCOCCOCOC1CCC2C3C4C(=O)CC(C43)C12C
InChIInChI=1S/C16H24O4/c1-16-9(13-14-10(16)7-11(17)15(13)14)3-4-12(16)20-8-19-6-5-18-2/h9-10,12-15H,3-8H2,1-2H3
InChIKeyBPQNIXNZZQEYMX-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.87
Rot. Bonds6

About 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one

9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one (PubChem CID 547950) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one.

Molecular Properties

Compound Name9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
PubChem CID547950
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
SMILESCOCCOCOC1CCC2C3C4C(=O)CC(C43)C12C
InChIInChI=1S/C16H24O4/c1-16-9(13-14-10(16)7-11(17)15(13)14)3-4-12(16)20-8-19-6-5-18-2/h9-10,12-15H,3-8H2,1-2H3
InChIKeyBPQNIXNZZQEYMX-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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,3S,6R,7R,8R,9R)-6,7,10,10-tetramethyl-5-oxo-9-tetracyclo[6.3.0.02,4.03,7]undecanyl] acetate
CID 56590750
[(1R,3S,7R,8R,9R)-7,10,10-trimethyl-5-oxo-9-tetracyclo[6.3.0.02,4.03,7]undecanyl] acetate
CID 71524428
(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)]undecane-5,10-dione, 7-methyl-3-[(2-methoxyethoxy)methoxy]-
CID 547948
Tricyclo[6.3.0.0(2,6)]undecan-10-one, 3-[(2-methoxyethoxy)methoxy]-2-methyl-
CID 560622
Tricyclo[6.3.0.0(1,5)]undecan-10-one, 4-[(2-methoxyethoxy)methoxy]-5,9-dimethyl-
CID 560626
Tricyclo[6.3.0.0(1,5)]undecan-10-one, 4-[(2-methoxyethoxy)methoxy]-5,11-dimethyl-
CID 560628
Tricyclo[6.3.0.0(1,5)]undecan-10-one, 4-[(2-methoxy ethoxy)methoxy]-5-methyl-
CID 560630
(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

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one?
The IUPAC name of 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one (CID 547950) is 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one.
What is the SMILES notation for 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one?
The canonical SMILES for 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one is COCCOCOC1CCC2C3C4C(=O)CC(C43)C12C.
What is the InChIKey of 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one?
The InChIKey is BPQNIXNZZQEYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-16-9(13-14-10(16)7-11(17)15(13)14)3-4-12(16)20-8-19-6-5-18-2/h9-10,12-15H,3-8H2,1-2H3.
What are the key properties of 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one?
9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one has a molecular weight of 280.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethoxymethoxy)-8-methyltetracyclo[6.3.0.02,4.03,7]undecan-5-one is sourced from PubChem (CID 547950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).