(4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol

C11H16O3 — CID 10910449

IUPAC(4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
SMILESO[C@@H]1C=CC[C@@]12CCCC21OCCO1
InChIInChI=1S/C11H16O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3,9,12H,2,4-8H2/t9-,10-/m1/s1
InChIKeyNJBNUYWXPDFDCP-NXEZZACHSA-N
MW196.25 g/mol
LogP1.22
Rot. Bonds

About (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol

(4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol (PubChem CID 10910449) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol.

Molecular Properties

Compound Name(4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
PubChem CID10910449
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
SMILESO[C@@H]1C=CC[C@@]12CCCC21OCCO1
InChIInChI=1S/C11H16O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3,9,12H,2,4-8H2/t9-,10-/m1/s1
InChIKeyNJBNUYWXPDFDCP-NXEZZACHSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.22
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 (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol?
The IUPAC name of (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol (CID 10910449) is (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol.
What is the SMILES notation for (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol?
The canonical SMILES for (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol is O[C@@H]1C=CC[C@@]12CCCC21OCCO1.
What is the InChIKey of (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol?
The InChIKey is NJBNUYWXPDFDCP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3,9,12H,2,4-8H2/t9-,10-/m1/s1.
What are the key properties of (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol?
(4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol has a molecular weight of 196.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol is sourced from PubChem (CID 10910449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).