8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

C17H30O3 — CID 139606275

IUPAC8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCCCCC1(O)C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C17H30O3/c1-5-6-7-8-9-17(18)14(2)12-16(13-15(17,3)4)19-10-11-20-16/h12,18H,5-11,13H2,1-4H3
InChIKeyUTLCBUZXCAEOCH-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.81
Rot. Bonds5

About 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 139606275) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID139606275
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCCCCC1(O)C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C17H30O3/c1-5-6-7-8-9-17(18)14(2)12-16(13-15(17,3)4)19-10-11-20-16/h12,18H,5-11,13H2,1-4H3
InChIKeyUTLCBUZXCAEOCH-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 139606275) is 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CCCCCCC1(O)C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is UTLCBUZXCAEOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-5-6-7-8-9-17(18)14(2)12-16(13-15(17,3)4)19-10-11-20-16/h12,18H,5-11,13H2,1-4H3.
What are the key properties of 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 282.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 139606275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).