8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol

C15H22O4 — CID 89299420

IUPAC8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
SMILESC=CC(C)(O)C1(O)C(C)=CC2(OCCO2)C(C)=C1C
InChIInChI=1S/C15H22O4/c1-6-13(5,16)15(17)10(2)9-14(11(3)12(15)4)18-7-8-19-14/h6,9,16-17H,1,7-8H2,2-5H3
InChIKeyKIPARIIEAHPJHS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.69
Rot. Bonds2

About 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol

8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol (PubChem CID 89299420) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol.

Molecular Properties

Compound Name8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
PubChem CID89299420
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
SMILESC=CC(C)(O)C1(O)C(C)=CC2(OCCO2)C(C)=C1C
InChIInChI=1S/C15H22O4/c1-6-13(5,16)15(17)10(2)9-14(11(3)12(15)4)18-7-8-19-14/h6,9,16-17H,1,7-8H2,2-5H3
InChIKeyKIPARIIEAHPJHS-UHFFFAOYSA-N
XLogP1.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol?
The IUPAC name of 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol (CID 89299420) is 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol.
What is the SMILES notation for 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol?
The canonical SMILES for 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol is C=CC(C)(O)C1(O)C(C)=CC2(OCCO2)C(C)=C1C.
What is the InChIKey of 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol?
The InChIKey is KIPARIIEAHPJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-6-13(5,16)15(17)10(2)9-14(11(3)12(15)4)18-7-8-19-14/h6,9,16-17H,1,7-8H2,2-5H3.
What are the key properties of 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol?
8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol has a molecular weight of 266.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxybut-3-en-2-yl)-6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol is sourced from PubChem (CID 89299420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).