(1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one

C11H12O4 — CID 59131299

IUPAC(1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one
SMILESO=C1O[C@H]2C[C@@]3(O)CO[C@H]4CC=C1[C@@H]2[C@H]43
InChIInChI=1S/C11H12O4/c12-10-5-1-2-6-9-8(5)7(15-10)3-11(9,13)4-14-6/h1,6-9,13H,2-4H2/t6-,7-,8-,9-,11+/m0/s1
InChIKeyRZXIJAOJYKKOEZ-JIYZTFHLSA-N
MW208.21 g/mol
LogP0.01
Rot. Bonds

About (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one

(1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one (PubChem CID 59131299) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one.

Molecular Properties

Compound Name(1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one
PubChem CID59131299
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one
SMILESO=C1O[C@H]2C[C@@]3(O)CO[C@H]4CC=C1[C@@H]2[C@H]43
InChIInChI=1S/C11H12O4/c12-10-5-1-2-6-9-8(5)7(15-10)3-11(9,13)4-14-6/h1,6-9,13H,2-4H2/t6-,7-,8-,9-,11+/m0/s1
InChIKeyRZXIJAOJYKKOEZ-JIYZTFHLSA-N
XLogP0.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one?
The IUPAC name of (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one (CID 59131299) is (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one.
What is the SMILES notation for (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one?
The canonical SMILES for (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one is O=C1O[C@H]2C[C@@]3(O)CO[C@H]4CC=C1[C@@H]2[C@H]43.
What is the InChIKey of (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one?
The InChIKey is RZXIJAOJYKKOEZ-JIYZTFHLSA-N. The full InChI is InChI=1S/C11H12O4/c12-10-5-1-2-6-9-8(5)7(15-10)3-11(9,13)4-14-6/h1,6-9,13H,2-4H2/t6-,7-,8-,9-,11+/m0/s1.
What are the key properties of (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one?
(1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one has a molecular weight of 208.21 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,10S,11R,12S)-10-hydroxy-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-4-en-3-one is sourced from PubChem (CID 59131299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).