10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol

C16H26F2O3 — CID 78044113

IUPAC10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
SMILESCOC1C=CC(F)(F)CCCCOCC(C)=CC(C)C1O
InChIInChI=1S/C16H26F2O3/c1-12-10-13(2)15(19)14(20-3)6-8-16(17,18)7-4-5-9-21-11-12/h6,8,10,13-15,19H,4-5,7,9,11H2,1-3H3
InChIKeyYWLCSCUVJMITJL-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.34
Rot. Bonds1

About 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol

10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol (PubChem CID 78044113) has the molecular formula C16H26F2O3 and a molecular weight of 304.38 g/mol. Its IUPAC name is 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol.

Molecular Properties

Compound Name10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
PubChem CID78044113
Molecular FormulaC16H26F2O3
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
SMILESCOC1C=CC(F)(F)CCCCOCC(C)=CC(C)C1O
InChIInChI=1S/C16H26F2O3/c1-12-10-13(2)15(19)14(20-3)6-8-16(17,18)7-4-5-9-21-11-12/h6,8,10,13-15,19H,4-5,7,9,11H2,1-3H3
InChIKeyYWLCSCUVJMITJL-UHFFFAOYSA-N
XLogP3.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.34
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 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol?
The IUPAC name of 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol (CID 78044113) is 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol.
What is the SMILES notation for 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol?
The canonical SMILES for 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol is COC1C=CC(F)(F)CCCCOCC(C)=CC(C)C1O.
What is the InChIKey of 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol?
The InChIKey is YWLCSCUVJMITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O3/c1-12-10-13(2)15(19)14(20-3)6-8-16(17,18)7-4-5-9-21-11-12/h6,8,10,13-15,19H,4-5,7,9,11H2,1-3H3.
What are the key properties of 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol?
10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol has a molecular weight of 304.38 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol is sourced from PubChem (CID 78044113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).