ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate

C11H18O4 — CID 13089482

IUPACethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
SMILESCCOC(=O)[C@H]1CC2(C[C@H]1C)OCCO2
InChIInChI=1S/C11H18O4/c1-3-13-10(12)9-7-11(6-8(9)2)14-4-5-15-11/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyYRZLDRXDNLQSKB-BDAKNGLRSA-N
MW214.26 g/mol
LogP1.34
Rot. Bonds2

About ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate

ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate (PubChem CID 13089482) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Nameethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
PubChem CID13089482
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
SMILESCCOC(=O)[C@H]1CC2(C[C@H]1C)OCCO2
InChIInChI=1S/C11H18O4/c1-3-13-10(12)9-7-11(6-8(9)2)14-4-5-15-11/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyYRZLDRXDNLQSKB-BDAKNGLRSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-Dioxaspiro[4.4]non-6-yl)propionic acid methyl ester
CID 10798675
Methyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 239217
1,4-Dioxaspiro[4.4]nonane-6-acetic acid, methyl ester
CID 11171635
(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
methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813510
tert-butyl (3aR,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate
CID 134916602
Ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methylpropanoate
CID 135011047
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-3-methylbutanoate
CID 135011234
Ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate
CID 135037698
methyl (1S,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 135037971
Ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate
CID 135038660
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)butanoate
CID 135038740

Frequently Asked Questions

What is the IUPAC name of ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate (CID 13089482) is ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate is CCOC(=O)[C@H]1CC2(C[C@H]1C)OCCO2.
What is the InChIKey of ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The InChIKey is YRZLDRXDNLQSKB-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-13-10(12)9-7-11(6-8(9)2)14-4-5-15-11/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 13089482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).