dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate

C16H24O6 — CID 101416566

IUPACdipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate
SMILESCC(C)OC(=O)[C@H]1OC2(CC=CCC2)O[C@@H]1C(=O)OC(C)C
InChIInChI=1S/C16H24O6/c1-10(2)19-14(17)12-13(15(18)20-11(3)4)22-16(21-12)8-6-5-7-9-16/h5-6,10-13H,7-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyLNPXWIKBWFBNJY-STQMWFEESA-N
MW312.36 g/mol
LogP2.11
Rot. Bonds4

About dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate

dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate (PubChem CID 101416566) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate
PubChem CID101416566
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Namedipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate
SMILESCC(C)OC(=O)[C@H]1OC2(CC=CCC2)O[C@@H]1C(=O)OC(C)C
InChIInChI=1S/C16H24O6/c1-10(2)19-14(17)12-13(15(18)20-11(3)4)22-16(21-12)8-6-5-7-9-16/h5-6,10-13H,7-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyLNPXWIKBWFBNJY-STQMWFEESA-N
XLogP2.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate 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

(1R,6Z,13R,15R,16R)-15,16-dimethoxy-15,16-dimethyl-8-methylidene-3,11,14,17-tetraoxabicyclo[11.4.0]heptadec-6-ene-2,12-dione
CID 101261486
(1R,6Z,14R,16R,17R)-16,17-dimethoxy-16,17-dimethyl-8-methylidene-3,12,15,18-tetraoxabicyclo[12.4.0]octadec-6-ene-2,13-dione
CID 101261487
dimethyl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate
CID 101416561
dimethyl (2S,3S)-7-hydroxy-1,4-dioxaspiro[4.5]dec-8-ene-2,3-dicarboxylate
CID 101416570
(1R,6E,14R,16R,17R)-16,17-dimethoxy-16,17-dimethyl-8-methylidene-3,12,15,18-tetraoxabicyclo[12.4.0]octadec-6-ene-2,13-dione
CID 134979864
(1R,6E,13R,15R,16R)-15,16-dimethoxy-15,16-dimethyl-8-methylidene-3,11,14,17-tetraoxabicyclo[11.4.0]heptadec-6-ene-2,12-dione
CID 134980066
(6E)-6-ethenyl-14,15-dimethoxy-14,15-dimethyl-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione
CID 135061907
(6E)-15,16-dimethoxy-15,16-dimethyl-8-methylidene-3,11,14,17-tetraoxabicyclo[11.4.0]heptadec-6-ene-2,12-dione
CID 135061908
(6E)-7-ethenyl-15,16-dimethoxy-15,16-dimethyl-3,11,14,17-tetraoxabicyclo[11.4.0]heptadec-6-ene-2,12-dione
CID 135062106
(6E)-16,17-dimethoxy-16,17-dimethyl-8-methylidene-3,12,15,18-tetraoxabicyclo[12.4.0]octadec-6-ene-2,13-dione
CID 135062107
dimethyl (2R,3R)-1,4-dioxaspiro[4.5]dec-6-ene-2,3-dicarboxylate
CID 13842370
diethyl 2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolane-4,5-dicarboxylate
CID 68222648

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate?
The IUPAC name of dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate (CID 101416566) is dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate is CC(C)OC(=O)[C@H]1OC2(CC=CCC2)O[C@@H]1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate?
The InChIKey is LNPXWIKBWFBNJY-STQMWFEESA-N. The full InChI is InChI=1S/C16H24O6/c1-10(2)19-14(17)12-13(15(18)20-11(3)4)22-16(21-12)8-6-5-7-9-16/h5-6,10-13H,7-9H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate?
dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate has a molecular weight of 312.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2S,3S)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate is sourced from PubChem (CID 101416566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).