ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate

C11H18O4 — CID 101378579

IUPACethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate
SMILESCCOC(=O)[C@H]1CCO[C@]2(CCCO2)C1
InChIInChI=1S/C11H18O4/c1-2-13-10(12)9-4-7-15-11(8-9)5-3-6-14-11/h9H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyYHMJBZAJQAIKAK-GXSJLCMTSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds2

About ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate

ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate (PubChem CID 101378579) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nameethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate
PubChem CID101378579
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate
SMILESCCOC(=O)[C@H]1CCO[C@]2(CCCO2)C1
InChIInChI=1S/C11H18O4/c1-2-13-10(12)9-4-7-15-11(8-9)5-3-6-14-11/h9H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyYHMJBZAJQAIKAK-GXSJLCMTSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester
CID 567526
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
methyl (1R,5S,6R)-1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 101555620
(4S,5S)-4-methyl-5-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxolan-2-one
CID 134938288
diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate
CID 134998812
Ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate
CID 134998976
Methyl 1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135021109
methyl (1R,5S,6R)-1-ethoxy-5-methyl-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135021112
ethyl (1R,5S,6R)-1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135041435
(1r,2r)-2-((r)-8-Oxo-1,4,7-trioxaspiro[4.5]decan-9-yl)-cyclohexyl acetate
CID 138757017
(3aR,7aS)-7a-methylspiro[3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6,1'-cyclobutane]-2-one
CID 155934540
(6-Oxo-3-pentyloxan-2-yl) acetate
CID 277318

Frequently Asked Questions

What is the IUPAC name of ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate?
The IUPAC name of ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate (CID 101378579) is ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate is CCOC(=O)[C@H]1CCO[C@]2(CCCO2)C1.
What is the InChIKey of ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate?
The InChIKey is YHMJBZAJQAIKAK-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-13-10(12)9-4-7-15-11(8-9)5-3-6-14-11/h9H,2-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate?
ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 101378579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).