(6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate

C12H20O6 — CID 166444357

IUPAC(6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate
SMILESCOC(=O)OC(C)(CCC(C)(O)C(C)=O)C(C)=O
InChIInChI=1S/C12H20O6/c1-8(13)11(3,16)6-7-12(4,9(2)14)18-10(15)17-5/h16H,6-7H2,1-5H3
InChIKeyGMLGSKPOVMRIQO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.24
Rot. Bonds6

About (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate

(6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate (PubChem CID 166444357) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate.

Molecular Properties

Compound Name(6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate
PubChem CID166444357
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate
SMILESCOC(=O)OC(C)(CCC(C)(O)C(C)=O)C(C)=O
InChIInChI=1S/C12H20O6/c1-8(13)11(3,16)6-7-12(4,9(2)14)18-10(15)17-5/h16H,6-7H2,1-5H3
InChIKeyGMLGSKPOVMRIQO-UHFFFAOYSA-N
XLogP1.24
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(1,1,1,3,3,3-hexabromo-2-methylpropan-2-yl) methyl carbonate
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methyl 2-acetamido-2-methyl-3-oxobutanoate
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(3-methyl-2-oxohexan-3-yl) prop-2-enoate
CID 177124679
(5R)-5-hydroxy-5,6-dimethylheptan-2-one
CID 14824861
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
methyl 2-(3,3-dimethylbutylamino)-4-oxopentanoate
CID 58171891
methyl 2-acetyl-5,5-dimethylhexanoate
CID 18370318

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate?
The IUPAC name of (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate (CID 166444357) is (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate.
What is the SMILES notation for (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate?
The canonical SMILES for (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate is COC(=O)OC(C)(CCC(C)(O)C(C)=O)C(C)=O.
What is the InChIKey of (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate?
The InChIKey is GMLGSKPOVMRIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-8(13)11(3,16)6-7-12(4,9(2)14)18-10(15)17-5/h16H,6-7H2,1-5H3.
What are the key properties of (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate?
(6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate has a molecular weight of 260.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate is sourced from PubChem (CID 166444357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).