9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol

C11H18O3 — CID 14360943

IUPAC9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol
SMILESC=CCC1(C)C(O)CCC12OCCO2
InChIInChI=1S/C11H18O3/c1-3-5-10(2)9(12)4-6-11(10)13-7-8-14-11/h3,9,12H,1,4-8H2,2H3
InChIKeyPZWLNRLRUPLHMF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.47
Rot. Bonds2

About 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol

9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol (PubChem CID 14360943) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol.

Molecular Properties

Compound Name9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol
PubChem CID14360943
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol
SMILESC=CCC1(C)C(O)CCC12OCCO2
InChIInChI=1S/C11H18O3/c1-3-5-10(2)9(12)4-6-11(10)13-7-8-14-11/h3,9,12H,1,4-8H2,2H3
InChIKeyPZWLNRLRUPLHMF-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.47
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 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol?
The IUPAC name of 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol (CID 14360943) is 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol.
What is the SMILES notation for 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol?
The canonical SMILES for 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol is C=CCC1(C)C(O)CCC12OCCO2.
What is the InChIKey of 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol?
The InChIKey is PZWLNRLRUPLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-5-10(2)9(12)4-6-11(10)13-7-8-14-11/h3,9,12H,1,4-8H2,2H3.
What are the key properties of 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol?
9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol has a molecular weight of 198.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol is sourced from PubChem (CID 14360943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).