(3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

C16H28O5 — CID 11543956

IUPAC(3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCC(C)(CO)COC(=O)C1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C16H28O5/c1-14(2,8-17)9-19-13(18)12-5-6-16(7-12)20-10-15(3,4)11-21-16/h12,17H,5-11H2,1-4H3
InChIKeySOIYHLYKTFUJQW-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.12
Rot. Bonds4

About (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

(3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (PubChem CID 11543956) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Name(3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
PubChem CID11543956
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Name(3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCC(C)(CO)COC(=O)C1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C16H28O5/c1-14(2,8-17)9-19-13(18)12-5-6-16(7-12)20-10-15(3,4)11-21-16/h12,17H,5-11H2,1-4H3
InChIKeySOIYHLYKTFUJQW-UHFFFAOYSA-N
XLogP2.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate with MolForge

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Related Compounds

Pzvsyzkluknykf-uchdhumisa-
CID 23272608
8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic Acid
CID 11535852
[3-(8,8-Dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 11576893
(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 15227852
Methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 22906262
(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 58894625
(S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic acid
CID 58894626
8,8-Dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 58894627
3,8,8-Trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 59540758
Ethyl 6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 66658628
butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 118121287
6,10-Dioxaspiro[4.5]decane-3-carboxylic acid
CID 130767657

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The IUPAC name of (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (CID 11543956) is (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is CC(C)(CO)COC(=O)C1CCC2(C1)OCC(C)(C)CO2.
What is the InChIKey of (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The InChIKey is SOIYHLYKTFUJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c1-14(2,8-17)9-19-13(18)12-5-6-16(7-12)20-10-15(3,4)11-21-16/h12,17H,5-11H2,1-4H3.
What are the key properties of (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
(3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 11543956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).