3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane

C19H32F2Si — CID 11359332

IUPAC3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane
SMILESC=C(C(C#CCCCC)=C(F)F)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H32F2Si/c1-9-10-11-12-13-18(19(20)21)17(8)22(14(2)3,15(4)5)16(6)7/h14-16H,8-11H2,1-7H3
InChIKeyRATHKRQYZZXUTC-UHFFFAOYSA-N
MW326.55 g/mol
LogP7.10
Rot. Bonds7

About 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane

3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane (PubChem CID 11359332) has the molecular formula C19H32F2Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane
PubChem CID11359332
Molecular FormulaC19H32F2Si
Molecular Weight326.55 g/mol
Exact Mass326.22
IUPAC Name3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane
SMILESC=C(C(C#CCCCC)=C(F)F)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H32F2Si/c1-9-10-11-12-13-18(19(20)21)17(8)22(14(2)3,15(4)5)16(6)7/h14-16H,8-11H2,1-7H3
InChIKeyRATHKRQYZZXUTC-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

non-4-yn-3-one
CID 10887980
(3R)-2-methylundeca-4,6-diyn-3-ol
CID 53475577
undec-6-yn-5-one
CID 11240698
2,2-dimethylnon-4-yn-3-one
CID 10773384
2-methyldeca-3,5-diyne
CID 10510996
pentadeca-5,10-diyne
CID 15530767
1-hydroxy-2,2-dimethyldec-5-yn-4-one
CID 102020461
dodeca-5,7-diyn-4-one
CID 125494229
1-fluorohex-1-yne
CID 87549340
trimethyl-[(2R)-oct-3-yn-2-yl]stannane
CID 15532108
3-ethyldec-5-yn-4-ol
CID 100982942
hex-1-ynyl-bis(2-methylpropyl)alumane
CID 86185013

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane?
The IUPAC name of 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane (CID 11359332) is 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane?
The canonical SMILES for 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane is C=C(C(C#CCCCC)=C(F)F)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane?
The InChIKey is RATHKRQYZZXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2Si/c1-9-10-11-12-13-18(19(20)21)17(8)22(14(2)3,15(4)5)16(6)7/h14-16H,8-11H2,1-7H3.
What are the key properties of 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane?
3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane has a molecular weight of 326.55 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane is sourced from PubChem (CID 11359332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).