ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane

C23H46O2Si — CID 170688772

IUPACethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
SMILESCC[Si](C)(C)C#CCCCCCCCCCCCOCCCOC(C)C
InChIInChI=1S/C23H46O2Si/c1-6-26(4,5)22-17-15-13-11-9-7-8-10-12-14-16-19-24-20-18-21-25-23(2)3/h23H,6-16,18-21H2,1-5H3
InChIKeySRRDOJCRGJSDHW-UHFFFAOYSA-N
MW382.71 g/mol
LogP6.99
Rot. Bonds17

About ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane

ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane (PubChem CID 170688772) has the molecular formula C23H46O2Si and a molecular weight of 382.71 g/mol. Its IUPAC name is ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane.

Molecular Properties

Compound Nameethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
PubChem CID170688772
Molecular FormulaC23H46O2Si
Molecular Weight382.71 g/mol
Exact Mass382.33
IUPAC Nameethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
SMILESCC[Si](C)(C)C#CCCCCCCCCCCCOCCCOC(C)C
InChIInChI=1S/C23H46O2Si/c1-6-26(4,5)22-17-15-13-11-9-7-8-10-12-14-16-19-24-20-18-21-25-23(2)3/h23H,6-16,18-21H2,1-5H3
InChIKeySRRDOJCRGJSDHW-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 56.99
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170688923
(15,15-Difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane
CID 170689021
Silane, dimethyl(non-5-yn-3-yloxy)heptyloxy-
CID 91736746
Silane, diethylbutoxy(dodec-9-ynyloxy)-
CID 91737542
Silane, diethyl(dodec-9-ynyloxy)pentyloxy-
CID 91737543
Silane, diethyl(dodec-9-ynyloxy)octyloxy-
CID 91737544
Silane, diethyl(dodec-9-ynyloxy)nonyloxy-
CID 91737545
Silane, diethyldecyloxy(dodec-9-ynyloxy)-
CID 91737546
Silane, diethyl(dodec-9-ynyloxy)undecyloxy-
CID 91737547
Silane, diethyldi(dodec-9-ynyloxy)-
CID 91737548
Silane, diethyl(dodec-9-ynyloxy)dodecyloxy-
CID 91737549
Silane, dimethyl(hex-4-yn-3-yloxy)octyloxy-
CID 91738893

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The IUPAC name of ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane (CID 170688772) is ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane.
What is the SMILES notation for ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The canonical SMILES for ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane is CC[Si](C)(C)C#CCCCCCCCCCCCOCCCOC(C)C.
What is the InChIKey of ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The InChIKey is SRRDOJCRGJSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2Si/c1-6-26(4,5)22-17-15-13-11-9-7-8-10-12-14-16-19-24-20-18-21-25-23(2)3/h23H,6-16,18-21H2,1-5H3.
What are the key properties of ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane has a molecular weight of 382.71 g/mol, XLogP of 6.99, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane is sourced from PubChem (CID 170688772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).