(6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol

C14H22O3 — CID 177475839

IUPAC(6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol
SMILESO[C@H]1CCC=CC[C@]12CCCCC21OCCO1
InChIInChI=1S/C14H22O3/c15-12-6-2-1-3-7-13(12)8-4-5-9-14(13)16-10-11-17-14/h1,3,12,15H,2,4-11H2/t12-,13-/m0/s1
InChIKeyLOYVERJPVQUJOH-STQMWFEESA-N
MW238.33 g/mol
LogP2.39
Rot. Bonds

About (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol

(6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol (PubChem CID 177475839) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol.

Molecular Properties

Compound Name(6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol
PubChem CID177475839
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol
SMILESO[C@H]1CCC=CC[C@]12CCCCC21OCCO1
InChIInChI=1S/C14H22O3/c15-12-6-2-1-3-7-13(12)8-4-5-9-14(13)16-10-11-17-14/h1,3,12,15H,2,4-11H2/t12-,13-/m0/s1
InChIKeyLOYVERJPVQUJOH-STQMWFEESA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.39
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,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol?
The IUPAC name of (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol (CID 177475839) is (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol.
What is the SMILES notation for (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol?
The canonical SMILES for (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol is O[C@H]1CCC=CC[C@]12CCCCC21OCCO1.
What is the InChIKey of (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol?
The InChIKey is LOYVERJPVQUJOH-STQMWFEESA-N. The full InChI is InChI=1S/C14H22O3/c15-12-6-2-1-3-7-13(12)8-4-5-9-14(13)16-10-11-17-14/h1,3,12,15H,2,4-11H2/t12-,13-/m0/s1.
What are the key properties of (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol?
(6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol has a molecular weight of 238.33 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol is sourced from PubChem (CID 177475839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).