ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate

C15H24O4 — CID 155016731

IUPACethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate
SMILESCCOC(=O)C(C)C1CC2CC3(C[C@H]2C1)OCCO3
InChIInChI=1S/C15H24O4/c1-3-17-14(16)10(2)11-6-12-8-15(9-13(12)7-11)18-4-5-19-15/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13?/m1/s1
InChIKeyBQXUZNNKILGZJL-AYNROABZSA-N
MW268.35 g/mol
LogP2.36
Rot. Bonds3

About ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate

ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate (PubChem CID 155016731) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate
PubChem CID155016731
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate
SMILESCCOC(=O)C(C)C1CC2CC3(C[C@H]2C1)OCCO3
InChIInChI=1S/C15H24O4/c1-3-17-14(16)10(2)11-6-12-8-15(9-13(12)7-11)18-4-5-19-15/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13?/m1/s1
InChIKeyBQXUZNNKILGZJL-AYNROABZSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-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 2-[(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate
CID 155087803
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl (1'R,2'R,3'aR,6'aS)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylate
CID 14061416
ethyl (1'R,2'S,3'aS,6'aR)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylate
CID 14061415
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl (1'R,5'S)-spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]oct-6-ene]-8'-carboxylate
CID 10514146
ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutanoate
CID 66038836
2-(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)butanoic acid
CID 67432796
2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 76602176
ethyl 1-acetyl-3-propan-2-ylcyclobutane-1-carboxylate
CID 79560591
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
CID 166888751

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate?
The IUPAC name of ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate (CID 155016731) is ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate.
What is the SMILES notation for ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate?
The canonical SMILES for ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate is CCOC(=O)C(C)C1CC2CC3(C[C@H]2C1)OCCO3.
What is the InChIKey of ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate?
The InChIKey is BQXUZNNKILGZJL-AYNROABZSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-17-14(16)10(2)11-6-12-8-15(9-13(12)7-11)18-4-5-19-15/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13?/m1/s1.
What are the key properties of ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate?
ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate has a molecular weight of 268.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate is sourced from PubChem (CID 155016731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).