(3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one

C10H14O4 — CID 130359468

IUPAC(3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one
SMILESC[C@@H]1C2O[C@@H]3OC(=O)[C@@]1(C)O[C@@H]3[C@H]2C
InChIInChI=1S/C10H14O4/c1-4-6-5(2)10(3)9(11)13-8(12-6)7(4)14-10/h4-8H,1-3H3/t4-,5+,6?,7+,8+,10-/m0/s1
InChIKeyDYIIHUQWEDXMPJ-SZNZAKJNSA-N
MW198.22 g/mol
LogP0.70
Rot. Bonds

About (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one

(3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one (PubChem CID 130359468) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one.

Molecular Properties

Compound Name(3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one
PubChem CID130359468
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one
SMILESC[C@@H]1C2O[C@@H]3OC(=O)[C@@]1(C)O[C@@H]3[C@H]2C
InChIInChI=1S/C10H14O4/c1-4-6-5(2)10(3)9(11)13-8(12-6)7(4)14-10/h4-8H,1-3H3/t4-,5+,6?,7+,8+,10-/m0/s1
InChIKeyDYIIHUQWEDXMPJ-SZNZAKJNSA-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 (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one?
The IUPAC name of (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one (CID 130359468) is (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one.
What is the SMILES notation for (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one?
The canonical SMILES for (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one is C[C@@H]1C2O[C@@H]3OC(=O)[C@@]1(C)O[C@@H]3[C@H]2C.
What is the InChIKey of (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one?
The InChIKey is DYIIHUQWEDXMPJ-SZNZAKJNSA-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/t4-,5+,6?,7+,8+,10-/m0/s1.
What are the key properties of (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one?
(3R,6S,8R,9S,10R)-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 (3R,6S,8R,9S,10R)-6,9,10-trimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-one is sourced from PubChem (CID 130359468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).