8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one

C12H18O5 — CID 10681626

IUPAC8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
SMILESCC1(C)OC(=O)CC2(CCCC23OCCO3)O1
InChIInChI=1S/C12H18O5/c1-10(2)16-9(13)8-11(17-10)4-3-5-12(11)14-6-7-15-12/h3-8H2,1-2H3
InChIKeyADTRCXVNCHPUAG-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.35
Rot. Bonds

About 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one

8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one (PubChem CID 10681626) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one.

Molecular Properties

Compound Name8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
PubChem CID10681626
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
SMILESCC1(C)OC(=O)CC2(CCCC23OCCO3)O1
InChIInChI=1S/C12H18O5/c1-10(2)16-9(13)8-11(17-10)4-3-5-12(11)14-6-7-15-12/h3-8H2,1-2H3
InChIKeyADTRCXVNCHPUAG-UHFFFAOYSA-N
XLogP1.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R,8S,9S,12R)-12-methyl-9-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 23244061
Ethyl 2-(8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-2-yl)acetate
CID 171147799
(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate
CID 118504353
Ethyl 2-((1aR,1bR,4ar,5aR)-3,3-dimethyltetrahydro-1aH-oxireno[2',3':3,4]cyclopenta[1,2-d][1,3]dioxol-1a-yl)acetate
CID 126455474
Ethyl 4-[4-(1,3-dioxolan-2-yl)-2,2-dimethyl-6-oxo-1,3-dioxan-4-yl]butanoate
CID 10495604
(6S,8R,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 10497236
11-Hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
CID 10563142
(6S,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 10569026
(6R,8R,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 10759459
4,4-Dimethyl-3,5,8,12-tetraoxadispiro[5.0.57.36]pentadecan-2-one
CID 10848663
(6R,8S,9R,12R)-9-methyl-12-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 10854509
methyl 2-[(3aR,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-3a-yl]acetate
CID 11622604

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one?
The IUPAC name of 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one (CID 10681626) is 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one.
What is the SMILES notation for 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one?
The canonical SMILES for 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one is CC1(C)OC(=O)CC2(CCCC23OCCO3)O1.
What is the InChIKey of 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one?
The InChIKey is ADTRCXVNCHPUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-10(2)16-9(13)8-11(17-10)4-3-5-12(11)14-6-7-15-12/h3-8H2,1-2H3.
What are the key properties of 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one?
8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one has a molecular weight of 242.27 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one is sourced from PubChem (CID 10681626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).