3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone

C18H28O8 — CID 604363

IUPAC3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone
SMILESCC1(C)COC(=O)CCC(=O)OCC(C)(C)COC(=O)CCC(=O)OC1
InChIInChI=1S/C18H28O8/c1-17(2)9-23-13(19)5-7-15(21)25-11-18(3,4)12-26-16(22)8-6-14(20)24-10-17/h5-12H2,1-4H3
InChIKeyLDTRIWVPIOWARW-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.79
Rot. Bonds

About 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone

3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone (PubChem CID 604363) has the molecular formula C18H28O8 and a molecular weight of 372.41 g/mol. Its IUPAC name is 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone.

Molecular Properties

Compound Name3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone
PubChem CID604363
Molecular FormulaC18H28O8
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Name3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone
SMILESCC1(C)COC(=O)CCC(=O)OCC(C)(C)COC(=O)CCC(=O)OC1
InChIInChI=1S/C18H28O8/c1-17(2)9-23-13(19)5-7-15(21)25-11-18(3,4)12-26-16(22)8-6-14(20)24-10-17/h5-12H2,1-4H3
InChIKeyLDTRIWVPIOWARW-UHFFFAOYSA-N
XLogP1.79
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

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CID 70605767
6,6-dimethyl-1,4-dioxepan-2-one
CID 10219498
7,7-dimethyl-1,3,5-trioxocane-2,4-dione
CID 88770359
2-cyclopropylidene-5,5-dimethyl-1,3-dioxane
CID 11008141
5-(hydroxymethyl)-5-methyloxan-2-one
CID 172868556
(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
4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one
CID 145473671
5-(hydroxymethyl)-12,12-dimethyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione
CID 15186324
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165
6,6-dimethyl-1,4-oxazepane-2,3-dione
CID 143776070
3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948
5,5-dimethyloxocane-2,6-dione
CID 134516022

Frequently Asked Questions

What is the IUPAC name of 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone?
The IUPAC name of 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone (CID 604363) is 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone.
What is the SMILES notation for 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone?
The canonical SMILES for 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone is CC1(C)COC(=O)CCC(=O)OCC(C)(C)COC(=O)CCC(=O)OC1.
What is the InChIKey of 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone?
The InChIKey is LDTRIWVPIOWARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O8/c1-17(2)9-23-13(19)5-7-15(21)25-11-18(3,4)12-26-16(22)8-6-14(20)24-10-17/h5-12H2,1-4H3.
What are the key properties of 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone?
3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone has a molecular weight of 372.41 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone is sourced from PubChem (CID 604363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).