ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane

C18H19F17Si — CID 86663264

IUPACethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane
SMILESC#C[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C18H19F17Si/c1-6-36(9(2)3,10(4)5)8-7-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1,9-10H,7-8H2,2-5H3
InChIKeySBXRLPCLQPFVNR-UHFFFAOYSA-N
MW586.40 g/mol
LogP8.83
Rot. Bonds11

About ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane

ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane (PubChem CID 86663264) has the molecular formula C18H19F17Si and a molecular weight of 586.40 g/mol. Its IUPAC name is ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane.

Molecular Properties

Compound Nameethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane
PubChem CID86663264
Molecular FormulaC18H19F17Si
Molecular Weight586.40 g/mol
Exact Mass586.10
IUPAC Nameethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane
SMILESC#C[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C18H19F17Si/c1-6-36(9(2)3,10(4)5)8-7-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1,9-10H,7-8H2,2-5H3
InChIKeySBXRLPCLQPFVNR-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.40
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 88660382
methyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium
CID 10219307
N-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethyl)silyl]-N-methylmethanamine
CID 58040750
N-[dimethyl(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-N-methylmethanamine
CID 175854571
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)silane
CID 101217112
ethane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 91160276
trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
CID 2782914
7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
CID 172814135
chloro-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
CID 59112310
di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
CID 87247627
dimethoxy-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776323

Frequently Asked Questions

What is the IUPAC name of ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane?
The IUPAC name of ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane (CID 86663264) is ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane.
What is the SMILES notation for ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane?
The canonical SMILES for ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane is C#C[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane?
The InChIKey is SBXRLPCLQPFVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F17Si/c1-6-36(9(2)3,10(4)5)8-7-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1,9-10H,7-8H2,2-5H3.
What are the key properties of ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane?
ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane has a molecular weight of 586.40 g/mol, XLogP of 8.83, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-di(propan-2-yl)silane is sourced from PubChem (CID 86663264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).