7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one

C10H14O5 — CID 554376

IUPAC7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one
SMILESCOC(OC)C1OC(=O)C2C1CC1OC12
InChIInChI=1S/C10H14O5/c1-12-10(13-2)7-4-3-5-8(14-5)6(4)9(11)15-7/h4-8,10H,3H2,1-2H3
InChIKeyQCMPBVLSGSUMNW-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.07
Rot. Bonds3

About 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one

7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one (PubChem CID 554376) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one.

Molecular Properties

Compound Name7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one
PubChem CID554376
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one
SMILESCOC(OC)C1OC(=O)C2C1CC1OC12
InChIInChI=1S/C10H14O5/c1-12-10(13-2)7-4-3-5-8(14-5)6(4)9(11)15-7/h4-8,10H,3H2,1-2H3
InChIKeyQCMPBVLSGSUMNW-UHFFFAOYSA-N
XLogP-0.07
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aR,4R,5R,6aS)-Hexahydro-2-oxo-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-4-carboxaldehyde
CID 11107879
Furo[3',2'-3,4]cyclopenta[1,2-d][1,3]-dioxin-6-one, perhydro-2-methyl-
CID 543124
(3aR,4R,5R,6aS)-4-(dimethoxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 135078571
(3As,4s,6ar)-4-(methoxymethoxy)hexahydro-1h-cyclopenta[c]furan-1-one
CID 172645651
Ethyl 2-(8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-2-yl)acetate
CID 171147799
5-(Oxan-2-yloxy)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
CID 12895802
(1S,5R,6S,7R)-3-oxo-6-Formyl-7-(2-tetrahydropyranyloxy)-2-oxabicyclo[3.3.0]octane
CID 12895803
(3aR,4R,5R,6aS)-4-(2-methyl-1,3-dioxolan-4-yl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18652541
[4-(2-Methyl-1,3-dioxolan-4-yl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 19088813
[4-(1,3-Dioxolan-2-ylmethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 19755850
4-(1,3-Dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22085168
[(3aR,4R,5R,6aS)-4-[(4R)-2-methyl-1,3-dioxolan-4-yl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 57074873

Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one?
The IUPAC name of 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one (CID 554376) is 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one.
What is the SMILES notation for 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one?
The canonical SMILES for 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one is COC(OC)C1OC(=O)C2C1CC1OC12.
What is the InChIKey of 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one?
The InChIKey is QCMPBVLSGSUMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-12-10(13-2)7-4-3-5-8(14-5)6(4)9(11)15-7/h4-8,10H,3H2,1-2H3.
What are the key properties of 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one?
7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one has a molecular weight of 214.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-3,8-dioxatricyclo[4.3.0.02,4]nonan-9-one is sourced from PubChem (CID 554376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).