butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

C15H26O4 — CID 118121287

IUPACbutyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCCCCOC(=O)[C@@H]1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C15H26O4/c1-4-5-8-17-13(16)12-6-7-15(9-12)18-10-14(2,3)11-19-15/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyJLAVJMVQUJPCIG-GFCCVEGCSA-N
MW270.37 g/mol
LogP2.90
Rot. Bonds4

About butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (PubChem CID 118121287) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namebutyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
PubChem CID118121287
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namebutyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCCCCOC(=O)[C@@H]1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C15H26O4/c1-4-5-8-17-13(16)12-6-7-15(9-12)18-10-14(2,3)11-19-15/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyJLAVJMVQUJPCIG-GFCCVEGCSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The IUPAC name of butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (CID 118121287) is butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is CCCCOC(=O)[C@@H]1CCC2(C1)OCC(C)(C)CO2.
What is the InChIKey of butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The InChIKey is JLAVJMVQUJPCIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-5-8-17-13(16)12-6-7-15(9-12)18-10-14(2,3)11-19-15/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 118121287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).