[3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane

C14H25F3O2Si — CID 159244423

IUPAC[3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane
SMILESC=CCC(OC[SiH](C)C)(C(=C)C)C(F)(F)OCCCF
InChIInChI=1S/C14H25F3O2Si/c1-6-8-13(12(2)3,19-11-20(4)5)14(16,17)18-10-7-9-15/h6,20H,1-2,7-11H2,3-5H3
InChIKeyBQOHBHDQAUFZJA-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.89
Rot. Bonds11

About [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane

[3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane (PubChem CID 159244423) has the molecular formula C14H25F3O2Si and a molecular weight of 310.43 g/mol. Its IUPAC name is [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane.

Molecular Properties

Compound Name[3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane
PubChem CID159244423
Molecular FormulaC14H25F3O2Si
Molecular Weight310.43 g/mol
Exact Mass310.16
IUPAC Name[3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane
SMILESC=CCC(OC[SiH](C)C)(C(=C)C)C(F)(F)OCCCF
InChIInChI=1S/C14H25F3O2Si/c1-6-8-13(12(2)3,19-11-20(4)5)14(16,17)18-10-7-9-15/h6,20H,1-2,7-11H2,3-5H3
InChIKeyBQOHBHDQAUFZJA-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane?
The IUPAC name of [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane (CID 159244423) is [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane.
What is the SMILES notation for [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane?
The canonical SMILES for [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane is C=CCC(OC[SiH](C)C)(C(=C)C)C(F)(F)OCCCF.
What is the InChIKey of [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane?
The InChIKey is BQOHBHDQAUFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O2Si/c1-6-8-13(12(2)3,19-11-20(4)5)14(16,17)18-10-7-9-15/h6,20H,1-2,7-11H2,3-5H3.
What are the key properties of [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane?
[3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane has a molecular weight of 310.43 g/mol, XLogP of 3.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[difluoro(3-fluoropropoxy)methyl]-2-methylhexa-1,5-dien-3-yl]oxymethyl-dimethylsilane is sourced from PubChem (CID 159244423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).