(4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one

C11H14O4 — CID 132553828

IUPAC(4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
SMILESC[C@@H]1C=C2C(=O)O[C@@H]3CC[C@H]([C@H]1O)[C@]23O
InChIInChI=1S/C11H14O4/c1-5-4-7-10(13)15-8-3-2-6(9(5)12)11(7,8)14/h4-6,8-9,12,14H,2-3H2,1H3/t5-,6-,8-,9+,11+/m1/s1
InChIKeyUTEDDCSJNUQWIY-GHAZOKMVSA-N
MW210.23 g/mol
LogP-0.01
Rot. Bonds

About (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one

(4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one (PubChem CID 132553828) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one.

Molecular Properties

Compound Name(4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
PubChem CID132553828
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
SMILESC[C@@H]1C=C2C(=O)O[C@@H]3CC[C@H]([C@H]1O)[C@]23O
InChIInChI=1S/C11H14O4/c1-5-4-7-10(13)15-8-3-2-6(9(5)12)11(7,8)14/h4-6,8-9,12,14H,2-3H2,1H3/t5-,6-,8-,9+,11+/m1/s1
InChIKeyUTEDDCSJNUQWIY-GHAZOKMVSA-N
XLogP-0.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The IUPAC name of (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one (CID 132553828) is (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one.
What is the SMILES notation for (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The canonical SMILES for (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one is C[C@@H]1C=C2C(=O)O[C@@H]3CC[C@H]([C@H]1O)[C@]23O.
What is the InChIKey of (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The InChIKey is UTEDDCSJNUQWIY-GHAZOKMVSA-N. The full InChI is InChI=1S/C11H14O4/c1-5-4-7-10(13)15-8-3-2-6(9(5)12)11(7,8)14/h4-6,8-9,12,14H,2-3H2,1H3/t5-,6-,8-,9+,11+/m1/s1.
What are the key properties of (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
(4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one has a molecular weight of 210.23 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R,8S,9R,11S)-8,11-dihydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one is sourced from PubChem (CID 132553828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).