(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione

C11H16O6 — CID 101027582

IUPAC(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione
SMILESO=C1CCCCC(=O)OC[C@H]2OCO[C@@H]2CO1
InChIInChI=1S/C11H16O6/c12-10-3-1-2-4-11(13)15-6-9-8(5-14-10)16-7-17-9/h8-9H,1-7H2/t8-,9-/m1/s1
InChIKeyUGDROGJBVVKWDU-RKDXNWHRSA-N
MW244.24 g/mol
LogP0.39
Rot. Bonds

About (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione

(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione (PubChem CID 101027582) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione.

Molecular Properties

Compound Name(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione
PubChem CID101027582
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione
SMILESO=C1CCCCC(=O)OC[C@H]2OCO[C@@H]2CO1
InChIInChI=1S/C11H16O6/c12-10-3-1-2-4-11(13)15-6-9-8(5-14-10)16-7-17-9/h8-9H,1-7H2/t8-,9-/m1/s1
InChIKeyUGDROGJBVVKWDU-RKDXNWHRSA-N
XLogP0.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione
CID 101027581
2-cyclohexyl-1,4-dioxecane-5,10-dione
CID 54163807
1,3-dioxacyclopentadecane-4,15-dione
CID 54430729
3,9-dioxabicyclo[9.2.2]pentadecane-4,8-dione
CID 69190780
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077
2-methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 18006200
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
6-hydroxyoxepan-2-one
CID 130130371
(6S)-6-methyloxepan-2-one
CID 14866717
oxacyclododecane-2,12-dione
CID 14785770
(1S,10S,14S,23S)-12,12,25,25-tetramethyl-3,8,11,13,16,21,24,26-octaoxatricyclo[21.3.0.010,14]hexacosane-4,7,17,20-tetrone
CID 101078667
1,6-dioxacyclotridecane-7,13-dione
CID 70450916

Frequently Asked Questions

What is the IUPAC name of (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione?
The IUPAC name of (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione (CID 101027582) is (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione.
What is the SMILES notation for (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione?
The canonical SMILES for (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione is O=C1CCCCC(=O)OC[C@H]2OCO[C@@H]2CO1.
What is the InChIKey of (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione?
The InChIKey is UGDROGJBVVKWDU-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16O6/c12-10-3-1-2-4-11(13)15-6-9-8(5-14-10)16-7-17-9/h8-9H,1-7H2/t8-,9-/m1/s1.
What are the key properties of (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione?
(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione has a molecular weight of 244.24 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione is sourced from PubChem (CID 101027582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).