3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol

C15H28O3 — CID 44562720

IUPAC3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol
SMILESCC1CCC2(CC1)CC(C)(CC(C)(C)CO)OO2
InChIInChI=1S/C15H28O3/c1-12-5-7-15(8-6-12)10-14(4,17-18-15)9-13(2,3)11-16/h12,16H,5-11H2,1-4H3
InChIKeyNQQLHLMZPCUSHU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.45
Rot. Bonds3

About 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol

3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol (PubChem CID 44562720) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol
PubChem CID44562720
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol
SMILESCC1CCC2(CC1)CC(C)(CC(C)(C)CO)OO2
InChIInChI=1S/C15H28O3/c1-12-5-7-15(8-6-12)10-14(4,17-18-15)9-13(2,3)11-16/h12,16H,5-11H2,1-4H3
InChIKeyNQQLHLMZPCUSHU-UHFFFAOYSA-N
XLogP3.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol (CID 44562720) is 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol is CC1CCC2(CC1)CC(C)(CC(C)(C)CO)OO2.
What is the InChIKey of 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is NQQLHLMZPCUSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-12-5-7-15(8-6-12)10-14(4,17-18-15)9-13(2,3)11-16/h12,16H,5-11H2,1-4H3.
What are the key properties of 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol?
3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,8-dimethyl-1,2-dioxaspiro[4.5]decan-3-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 44562720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).