6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one

C10H14O4 — CID 130359467

IUPAC6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one
SMILESCC1C2OC3(C)C(=O)OC2OC1C3C
InChIInChI=1S/C10H14O4/c1-4-6-5(2)10(3)9(11)13-8(12-6)7(4)14-10/h4-8H,1-3H3
InChIKeyDYIIHUQWEDXMPJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.70
Rot. Bonds

About 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one

6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one (PubChem CID 130359467) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one.

Molecular Properties

Compound Name6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one
PubChem CID130359467
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one
SMILESCC1C2OC3(C)C(=O)OC2OC1C3C
InChIInChI=1S/C10H14O4/c1-4-6-5(2)10(3)9(11)13-8(12-6)7(4)14-10/h4-8H,1-3H3
InChIKeyDYIIHUQWEDXMPJ-UHFFFAOYSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one?
The IUPAC name of 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one (CID 130359467) is 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one.
What is the SMILES notation for 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one?
The canonical SMILES for 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one is CC1C2OC3(C)C(=O)OC2OC1C3C.
What is the InChIKey of 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one?
The InChIKey is DYIIHUQWEDXMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-6-5(2)10(3)9(11)13-8(12-6)7(4)14-10/h4-8H,1-3H3.
What are the key properties of 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one?
6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one has a molecular weight of 198.22 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one is sourced from PubChem (CID 130359467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).