(1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one

C10H14O5 — CID 10398318

IUPAC(1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one
SMILESC[C@H]1C[C@@H]2OC(=O)[C@H]3[C@@H]2[C@]1(O)CO[C@@H]3O
InChIInChI=1S/C10H14O5/c1-4-2-5-7-6(9(12)15-5)8(11)14-3-10(4,7)13/h4-8,11,13H,2-3H2,1H3/t4-,5-,6-,7+,8-,10-/m0/s1
InChIKeySNNJSMNZDVHVIU-QEPMPPCBSA-N
MW214.22 g/mol
LogP-0.74
Rot. Bonds

About (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one

(1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one (PubChem CID 10398318) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one.

Molecular Properties

Compound Name(1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one
PubChem CID10398318
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one
SMILESC[C@H]1C[C@@H]2OC(=O)[C@H]3[C@@H]2[C@]1(O)CO[C@@H]3O
InChIInChI=1S/C10H14O5/c1-4-2-5-7-6(9(12)15-5)8(11)14-3-10(4,7)13/h4-8,11,13H,2-3H2,1H3/t4-,5-,6-,7+,8-,10-/m0/s1
InChIKeySNNJSMNZDVHVIU-QEPMPPCBSA-N
XLogP-0.74
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one?
The IUPAC name of (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one (CID 10398318) is (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one.
What is the SMILES notation for (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one?
The canonical SMILES for (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one is C[C@H]1C[C@@H]2OC(=O)[C@H]3[C@@H]2[C@]1(O)CO[C@@H]3O.
What is the InChIKey of (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one?
The InChIKey is SNNJSMNZDVHVIU-QEPMPPCBSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-2-5-7-6(9(12)15-5)8(11)14-3-10(4,7)13/h4-8,11,13H,2-3H2,1H3/t4-,5-,6-,7+,8-,10-/m0/s1.
What are the key properties of (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one?
(1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one has a molecular weight of 214.22 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one is sourced from PubChem (CID 10398318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).