(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol

C13H20O3 — CID 101140067

IUPAC(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol
SMILESO[C@@H]1CCC=CC[C@]12CCCC21OCCO1
InChIInChI=1S/C13H20O3/c14-11-5-2-1-3-6-12(11)7-4-8-13(12)15-9-10-16-13/h1,3,11,14H,2,4-10H2/t11-,12+/m1/s1
InChIKeyNQKCJTWXWLWGIQ-NEPJUHHUSA-N
MW224.30 g/mol
LogP2.00
Rot. Bonds

About (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol

(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol (PubChem CID 101140067) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol.

Molecular Properties

Compound Name(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol
PubChem CID101140067
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol
SMILESO[C@@H]1CCC=CC[C@]12CCCC21OCCO1
InChIInChI=1S/C13H20O3/c14-11-5-2-1-3-6-12(11)7-4-8-13(12)15-9-10-16-13/h1,3,11,14H,2,4-10H2/t11-,12+/m1/s1
InChIKeyNQKCJTWXWLWGIQ-NEPJUHHUSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.00
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 (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol?
The IUPAC name of (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol (CID 101140067) is (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol.
What is the SMILES notation for (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol?
The canonical SMILES for (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol is O[C@@H]1CCC=CC[C@]12CCCC21OCCO1.
What is the InChIKey of (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol?
The InChIKey is NQKCJTWXWLWGIQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H20O3/c14-11-5-2-1-3-6-12(11)7-4-8-13(12)15-9-10-16-13/h1,3,11,14H,2,4-10H2/t11-,12+/m1/s1.
What are the key properties of (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol?
(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol has a molecular weight of 224.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol is sourced from PubChem (CID 101140067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).