(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol

C11H18O3 — CID 10899601

IUPAC(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol
SMILESC=CCC1(CO)CCCC12OCCO2
InChIInChI=1S/C11H18O3/c1-2-4-10(9-12)5-3-6-11(10)13-7-8-14-11/h2,12H,1,3-9H2
InChIKeyHYKNOUPCIQGWLF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.47
Rot. Bonds3

About (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol

(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol (PubChem CID 10899601) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol.

Molecular Properties

Compound Name(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol
PubChem CID10899601
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol
SMILESC=CCC1(CO)CCCC12OCCO2
InChIInChI=1S/C11H18O3/c1-2-4-10(9-12)5-3-6-11(10)13-7-8-14-11/h2,12H,1,3-9H2
InChIKeyHYKNOUPCIQGWLF-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol?
The IUPAC name of (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol (CID 10899601) is (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol.
What is the SMILES notation for (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol?
The canonical SMILES for (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol is C=CCC1(CO)CCCC12OCCO2.
What is the InChIKey of (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol?
The InChIKey is HYKNOUPCIQGWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-4-10(9-12)5-3-6-11(10)13-7-8-14-11/h2,12H,1,3-9H2.
What are the key properties of (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol?
(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol has a molecular weight of 198.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol is sourced from PubChem (CID 10899601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).