methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate

C10H16O4 — CID 11171635

IUPACmethyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate
SMILESCOC(=O)CC1CCCC12OCCO2
InChIInChI=1S/C10H16O4/c1-12-9(11)7-8-3-2-4-10(8)13-5-6-14-10/h8H,2-7H2,1H3
InChIKeyGNPUAMDCKUOIPC-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds2

About methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate

methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate (PubChem CID 11171635) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate
PubChem CID11171635
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate
SMILESCOC(=O)CC1CCCC12OCCO2
InChIInChI=1S/C10H16O4/c1-12-9(11)7-8-3-2-4-10(8)13-5-6-14-10/h8H,2-7H2,1H3
InChIKeyGNPUAMDCKUOIPC-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate?
The IUPAC name of methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate (CID 11171635) is methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate.
What is the SMILES notation for methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate?
The canonical SMILES for methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate is COC(=O)CC1CCCC12OCCO2.
What is the InChIKey of methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate?
The InChIKey is GNPUAMDCKUOIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-12-9(11)7-8-3-2-4-10(8)13-5-6-14-10/h8H,2-7H2,1H3.
What are the key properties of methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate?
methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate has a molecular weight of 200.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetate is sourced from PubChem (CID 11171635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).