tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate

C15H26O4 — CID 85424235

IUPACtert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate
SMILESCC(C(=O)OC(C)(C)C)C1CCCC2(C1)OCCO2
InChIInChI=1S/C15H26O4/c1-11(13(16)19-14(2,3)4)12-6-5-7-15(10-12)17-8-9-18-15/h11-12H,5-10H2,1-4H3
InChIKeyXXCFBXCIIKOFMP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.90
Rot. Bonds2

About tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate

tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate (PubChem CID 85424235) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate
PubChem CID85424235
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nametert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate
SMILESCC(C(=O)OC(C)(C)C)C1CCCC2(C1)OCCO2
InChIInChI=1S/C15H26O4/c1-11(13(16)19-14(2,3)4)12-6-5-7-15(10-12)17-8-9-18-15/h11-12H,5-10H2,1-4H3
InChIKeyXXCFBXCIIKOFMP-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate 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

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
dimethyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
CID 67511086
Dimethyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanedioate
CID 67511089
Tert-butyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90160636
Ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 19004805
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
3-(1,4-Dioxaspiro[4.5]dec-6-yl)propionic acid
CID 10824710
(3aS,7aR)-7,7-diethoxy-3,3a,4,5,6,7a-hexahydro-1-benzofuran-2-one
CID 102179770

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate?
The IUPAC name of tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate (CID 85424235) is tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate?
The canonical SMILES for tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate is CC(C(=O)OC(C)(C)C)C1CCCC2(C1)OCCO2.
What is the InChIKey of tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate?
The InChIKey is XXCFBXCIIKOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(13(16)19-14(2,3)4)12-6-5-7-15(10-12)17-8-9-18-15/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate?
tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate has a molecular weight of 270.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate is sourced from PubChem (CID 85424235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).