methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate

C14H24O4 — CID 581270

IUPACmethyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate
SMILESCOC(=O)CCC1CCC2(OC(C)C(C)O2)C1C
InChIInChI=1S/C14H24O4/c1-9-12(5-6-13(15)16-4)7-8-14(9)17-10(2)11(3)18-14/h9-12H,5-8H2,1-4H3
InChIKeyGRFWLIKOJLKQIX-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.51
Rot. Bonds3

About methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate

methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate (PubChem CID 581270) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate
PubChem CID581270
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate
SMILESCOC(=O)CCC1CCC2(OC(C)C(C)O2)C1C
InChIInChI=1S/C14H24O4/c1-9-12(5-6-13(15)16-4)7-8-14(9)17-10(2)11(3)18-14/h9-12H,5-8H2,1-4H3
InChIKeyGRFWLIKOJLKQIX-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate with MolForge

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Related Compounds

7-[(8S,9R)-8-[(3R)-4-fluoro-3-hydroxyoctyl]-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoic acid
CID 152747700
7-[(8S,9R)-8-[(3S)-4-fluoro-3-hydroxyoctyl]-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoic acid
CID 152747703
1,4-Dioxaspiro[4.4]nonane-6-acetic acid, methyl ester
CID 11171635
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(methoxycarbonylmethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560016
Methyl 3-[2,3-dimethyl-6-(2-propynyl)-1,4-dioxaspiro[4.4]non-7-yl]propanoate
CID 581275
methyl 2-[(8R,9R)-9-(2-oxoethyl)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
CID 10681625
methyl (3R)-4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pentanoate
CID 52912814
1-9,9-(Ethylenedioxy)-15-hydroxy-15-methyl-prostanoic acid
CID 18594570
7-[(8S,9R)-8-(3-hydroxyoctyl)-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoic acid
CID 18594571
7-[(8S,9R)-8-(3-oxooctyl)-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoic acid
CID 18594572
7-[(8S,9R)-8-[(3S)-3-hydroxyoctyl]-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoic acid
CID 18594577
1-Methyl 9,9-(ethylenedioxy)-15-hydroxy-15-methyl-prostanoate
CID 18594627

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate?
The IUPAC name of methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate (CID 581270) is methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate.
What is the SMILES notation for methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate?
The canonical SMILES for methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate is COC(=O)CCC1CCC2(OC(C)C(C)O2)C1C.
What is the InChIKey of methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate?
The InChIKey is GRFWLIKOJLKQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-9-12(5-6-13(15)16-4)7-8-14(9)17-10(2)11(3)18-14/h9-12H,5-8H2,1-4H3.
What are the key properties of methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate?
methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate has a molecular weight of 256.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate is sourced from PubChem (CID 581270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).