methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate

C17H28O8 — CID 23135736

IUPACmethyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1OCC2(CO1)COC(C(C)(C)C(=O)OC)OC2
InChIInChI=1S/C17H28O8/c1-15(2,11(18)20-5)13-22-7-17(8-23-13)9-24-14(25-10-17)16(3,4)12(19)21-6/h13-14H,7-10H2,1-6H3
InChIKeyFDQCQXVJUQVCIK-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.12
Rot. Bonds4

About methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate

methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate (PubChem CID 23135736) has the molecular formula C17H28O8 and a molecular weight of 360.40 g/mol. Its IUPAC name is methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate
PubChem CID23135736
Molecular FormulaC17H28O8
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Namemethyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1OCC2(CO1)COC(C(C)(C)C(=O)OC)OC2
InChIInChI=1S/C17H28O8/c1-15(2,11(18)20-5)13-22-7-17(8-23-13)9-24-14(25-10-17)16(3,4)12(19)21-6/h13-14H,7-10H2,1-6H3
InChIKeyFDQCQXVJUQVCIK-UHFFFAOYSA-N
XLogP1.12
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(2R,5R)-5-hydroxyoxan-2-yl]-2-methylpropanoate
CID 129408225
1-O,2-O,3-O-trimethyl 4-O-[2-methyl-2-(9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl)propyl] butane-1,2,3,4-tetracarboxylate
CID 59944808
methyl 2-cyclopropyl-2-hydroxypropanoate
CID 62212878
methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate
CID 82726709
methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate
CID 144518048
methyl 2-methyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)propanoate
CID 10489349
O-[2-[3-(1-heptadecanethioyloxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] heptadecanethioate
CID 19990037
methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 116963121
methyl 6,8-dioxabicyclo[3.2.1]octane-1-carboxylate
CID 152691642
methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate
CID 116875048
methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate
CID 10919705
methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175573583

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate (CID 23135736) is methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate is COC(=O)C(C)(C)C1OCC2(CO1)COC(C(C)(C)C(=O)OC)OC2.
What is the InChIKey of methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate?
The InChIKey is FDQCQXVJUQVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O8/c1-15(2,11(18)20-5)13-22-7-17(8-23-13)9-24-14(25-10-17)16(3,4)12(19)21-6/h13-14H,7-10H2,1-6H3.
What are the key properties of methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate?
methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate has a molecular weight of 360.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate is sourced from PubChem (CID 23135736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).