(6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol

C15H24O3 — CID 101140091

IUPAC(6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
SMILESO[C@H]1CCC=CC[C@]12CCCCCC21OCCO1
InChIInChI=1S/C15H24O3/c16-13-7-3-1-4-8-14(13)9-5-2-6-10-15(14)17-11-12-18-15/h1,4,13,16H,2-3,5-12H2/t13-,14-/m0/s1
InChIKeyYQEFOPYPCUWRKP-KBPBESRZSA-N
MW252.35 g/mol
LogP2.78
Rot. Bonds

About (6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol

(6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol (PubChem CID 101140091) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol.

Molecular Properties

Compound Name(6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
PubChem CID101140091
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
SMILESO[C@H]1CCC=CC[C@]12CCCCCC21OCCO1
InChIInChI=1S/C15H24O3/c16-13-7-3-1-4-8-14(13)9-5-2-6-10-15(14)17-11-12-18-15/h1,4,13,16H,2-3,5-12H2/t13-,14-/m0/s1
InChIKeyYQEFOPYPCUWRKP-KBPBESRZSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.78
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[4.0.66.55]heptadec-10-en-7-ol?
The IUPAC name of (6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol (CID 101140091) is (6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol.
What is the SMILES notation for (6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol?
The canonical SMILES for (6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol is O[C@H]1CCC=CC[C@]12CCCCCC21OCCO1.
What is the InChIKey of (6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol?
The InChIKey is YQEFOPYPCUWRKP-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24O3/c16-13-7-3-1-4-8-14(13)9-5-2-6-10-15(14)17-11-12-18-15/h1,4,13,16H,2-3,5-12H2/t13-,14-/m0/s1.
What are the key properties of (6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol?
(6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol has a molecular weight of 252.35 g/mol, XLogP of 2.78, 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[4.0.66.55]heptadec-10-en-7-ol is sourced from PubChem (CID 101140091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).