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

C11H18O4 — CID 10798675

IUPACmethyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate
SMILESCOC(=O)CCC1CCCC12OCCO2
InChIInChI=1S/C11H18O4/c1-13-10(12)5-4-9-3-2-6-11(9)14-7-8-15-11/h9H,2-8H2,1H3
InChIKeyWCGKYJFCQZJMFC-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds3

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

methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate (PubChem CID 10798675) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate
PubChem CID10798675
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate
SMILESCOC(=O)CCC1CCCC12OCCO2
InChIInChI=1S/C11H18O4/c1-13-10(12)5-4-9-3-2-6-11(9)14-7-8-15-11/h9H,2-8H2,1H3
InChIKeyWCGKYJFCQZJMFC-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate
CID 10488810
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10845708
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
Methyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 239217
Methyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)acetate
CID 67511443
Ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
CID 10562135
1,4-Dioxaspiro[4.4]nonane-6-propanoicacid
CID 10799962
(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10868459
1,4-Dioxaspiro[4.4]nonane-6-acetic acid, methyl ester
CID 11171635
Methyl 3-(2-ethoxycyclopentyl)propanoate
CID 12812364
(1'S,4'aR,7'aR)-1'-methylspiro[1,3-dioxolane-2,6'-1,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran]-3'-one
CID 14467427

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate?
The IUPAC name of methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate (CID 10798675) is methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate.
What is the SMILES notation for methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate?
The canonical SMILES for methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate is COC(=O)CCC1CCCC12OCCO2.
What is the InChIKey of methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate?
The InChIKey is WCGKYJFCQZJMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-13-10(12)5-4-9-3-2-6-11(9)14-7-8-15-11/h9H,2-8H2,1H3.
What are the key properties of methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate?
methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate has a molecular weight of 214.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propanoate is sourced from PubChem (CID 10798675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).