8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

C16H28O3 — CID 139606292

IUPAC8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCCC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2
InChIInChI=1S/C16H28O3/c1-6-7-8-16(17)12(2)9-15(11-14(16,4)5)18-10-13(3)19-15/h9,13,17H,6-8,10-11H2,1-5H3
InChIKeyXVQRTBZIWZCVAP-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.42
Rot. Bonds3

About 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 139606292) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID139606292
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCCC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2
InChIInChI=1S/C16H28O3/c1-6-7-8-16(17)12(2)9-15(11-14(16,4)5)18-10-13(3)19-15/h9,13,17H,6-8,10-11H2,1-5H3
InChIKeyXVQRTBZIWZCVAP-UHFFFAOYSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 139606292) is 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CCCCC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2.
What is the InChIKey of 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is XVQRTBZIWZCVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-6-7-8-16(17)12(2)9-15(11-14(16,4)5)18-10-13(3)19-15/h9,13,17H,6-8,10-11H2,1-5H3.
What are the key properties of 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 268.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 139606292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).