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

C10H14O5 — CID 163001710

IUPAC(1R,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-YKJCMVHCSA-N
MW214.22 g/mol
LogP-0.74
Rot. Bonds

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

(1R,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one (PubChem CID 163001710) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (1R,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(1R,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one
PubChem CID163001710
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(1R,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-YKJCMVHCSA-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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Related Compounds

(1S,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one
CID 10398318
6,8-dihydroxy-1,8-dimethyl-5-methylidene-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-2-one
CID 163084151
(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
CID 11138067
(2S,4R,4aR,7S,8aR)-4-hydroxy-2,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-5-one
CID 11030833
(4R,7S)-1,2-dimethyl-9-methylidene-5-oxatricyclo[5.2.2.04,8]undecan-6-one
CID 135041010
(5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 163551138
(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 51014182
5-hydroxy-3-methyloxolan-2-one
CID 12794198
(4S,5aS,9aR)-1,4-dihydroxy-6,6,9a-trimethyl-3a,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][2]benzofuran-3-one
CID 42621023
(1S,4S,5R,6R,7R,8R,11R,13S,17S,18S)-4,5,17-trihydroxy-6,8,14,18-tetramethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecane-9,16-dione
CID 142160340
(1S,3aR,5S,5aR,8S,8aR,9aR)-5,8-dihydroxy-1,5,8-trimethyl-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-2-one
CID 162847975
(1S,3aR,5R,5aS,8aS,9R,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
CID 21456122

Frequently Asked Questions

What is the IUPAC name of (1R,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 (1R,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one (CID 163001710) is (1R,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 (1R,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 (1R,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 (1R,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-YKJCMVHCSA-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 (1R,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one?
(1R,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 (1R,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 163001710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).