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

C12H18O6 — CID 10563142

IUPAC11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
SMILESCC1(C)OC(=O)C(O)C2(CCCC23OCCO3)O1
InChIInChI=1S/C12H18O6/c1-10(2)17-9(14)8(13)11(18-10)4-3-5-12(11)15-6-7-16-12/h8,13H,3-7H2,1-2H3
InChIKeyDVXFRFZXBYEFQO-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.32
Rot. Bonds

About 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one

11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one (PubChem CID 10563142) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one.

Molecular Properties

Compound Name11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
PubChem CID10563142
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
SMILESCC1(C)OC(=O)C(O)C2(CCCC23OCCO3)O1
InChIInChI=1S/C12H18O6/c1-10(2)17-9(14)8(13)11(18-10)4-3-5-12(11)15-6-7-16-12/h8,13H,3-7H2,1-2H3
InChIKeyDVXFRFZXBYEFQO-UHFFFAOYSA-N
XLogP0.32
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one with MolForge

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Related Compounds

(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
CID 10083252
(3S,9S)-3,4-dihydroxy-9-(methoxymethoxy)-1-oxaspiro[4.4]nonan-2-one
CID 134845135
(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid
CID 134855154
methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate
CID 134971265
5,6-O-Isopropylidene-3-C-methyl-D-mannono-1,4-lactone
CID 139072745
8,8-Dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one
CID 10681626
(2R)-8-ethyl-2,8-bis(hydroxymethyl)-1,7,10-trioxaspiro[4.5]decane-6-carboxylic acid
CID 58788703
methyl (2R)-2-[(2S,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-hydroxyacetate
CID 68069031
(2R)-2-[(4R,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-hydroxyacetic acid
CID 68253000
methyl (2R,3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-3-methoxyheptanoate
CID 118494705
3,4-Dihydroxy-2-methoxy-3,4,6-trimethyloxane-2-carboxylic acid
CID 129026124
dipropyl (2R,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2,3-dicarboxylate
CID 140004989

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one?
The IUPAC name of 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one (CID 10563142) is 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one.
What is the SMILES notation for 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one?
The canonical SMILES for 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one is CC1(C)OC(=O)C(O)C2(CCCC23OCCO3)O1.
What is the InChIKey of 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one?
The InChIKey is DVXFRFZXBYEFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6/c1-10(2)17-9(14)8(13)11(18-10)4-3-5-12(11)15-6-7-16-12/h8,13H,3-7H2,1-2H3.
What are the key properties of 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one?
11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one has a molecular weight of 258.27 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-8,8-dimethyl-1,4,7,9-tetraoxadispiro[4.0.56.35]tetradecan-10-one is sourced from PubChem (CID 10563142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).