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

C15H26O3 — CID 14759595

IUPAC8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCCC1(O)C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C15H26O3/c1-5-6-7-15(16)12(2)10-14(11-13(15,3)4)17-8-9-18-14/h10,16H,5-9,11H2,1-4H3
InChIKeyWQQDPPOPHSSONO-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.03
Rot. Bonds3

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

8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 14759595) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID14759595
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCCCCC1(O)C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C15H26O3/c1-5-6-7-15(16)12(2)10-14(11-13(15,3)4)17-8-9-18-14/h10,16H,5-9,11H2,1-4H3
InChIKeyWQQDPPOPHSSONO-UHFFFAOYSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.03
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-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 14759595) is 8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CCCCC1(O)C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of 8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is WQQDPPOPHSSONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-6-7-15(16)12(2)10-14(11-13(15,3)4)17-8-9-18-14/h10,16H,5-9,11H2,1-4H3.
What are the key properties of 8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 254.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 14759595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).