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

C16H26O3 — CID 139606281

IUPAC8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCC=CC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2
InChIInChI=1S/C16H26O3/c1-6-7-8-16(17)12(2)9-15(11-14(16,4)5)18-10-13(3)19-15/h7-9,13,17H,6,10-11H2,1-5H3
InChIKeyMMQCVXFHFHZUHX-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.19
Rot. Bonds2

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

8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 139606281) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID139606281
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCC=CC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2
InChIInChI=1S/C16H26O3/c1-6-7-8-16(17)12(2)9-15(11-14(16,4)5)18-10-13(3)19-15/h7-9,13,17H,6,10-11H2,1-5H3
InChIKeyMMQCVXFHFHZUHX-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 139606281) is 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CCC=CC1(O)C(C)=CC2(CC1(C)C)OCC(C)O2.
What is the InChIKey of 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is MMQCVXFHFHZUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-6-7-8-16(17)12(2)9-15(11-14(16,4)5)18-10-13(3)19-15/h7-9,13,17H,6,10-11H2,1-5H3.
What are the key properties of 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 266.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-1-enyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 139606281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).