[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate

C24H38O7 — CID 58445587

IUPAC[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1C(C2COC3(CCCCC3)O2)OC2OC3(CCCCC3)OC21
InChIInChI=1S/C24H38O7/c1-4-22(2,3)21(25)28-18-17(16-15-26-23(29-16)11-7-5-8-12-23)27-20-19(18)30-24(31-20)13-9-6-10-14-24/h16-20H,4-15H2,1-3H3
InChIKeyVBAKVANCEBFDGX-UHFFFAOYSA-N
MW438.56 g/mol
LogP4.21
Rot. Bonds4

About [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate

[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate (PubChem CID 58445587) has the molecular formula C24H38O7 and a molecular weight of 438.56 g/mol. Its IUPAC name is [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate
PubChem CID58445587
Molecular FormulaC24H38O7
Molecular Weight438.56 g/mol
Exact Mass438.26
IUPAC Name[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1C(C2COC3(CCCCC3)O2)OC2OC3(CCCCC3)OC21
InChIInChI=1S/C24H38O7/c1-4-22(2,3)21(25)28-18-17(16-15-26-23(29-16)11-7-5-8-12-23)27-20-19(18)30-24(31-20)13-9-6-10-14-24/h16-20H,4-15H2,1-3H3
InChIKeyVBAKVANCEBFDGX-UHFFFAOYSA-N
XLogP4.21
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate?
The IUPAC name of [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate (CID 58445587) is [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1C(C2COC3(CCCCC3)O2)OC2OC3(CCCCC3)OC21.
What is the InChIKey of [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate?
The InChIKey is VBAKVANCEBFDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O7/c1-4-22(2,3)21(25)28-18-17(16-15-26-23(29-16)11-7-5-8-12-23)27-20-19(18)30-24(31-20)13-9-6-10-14-24/h16-20H,4-15H2,1-3H3.
What are the key properties of [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate?
[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate has a molecular weight of 438.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 58445587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).