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

C25H50O2Si — CID 170688804

IUPACtert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
SMILESCC(C)OCCCOCCCCCCCCCCCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O2Si/c1-24(2)27-22-19-21-26-20-17-15-13-11-9-8-10-12-14-16-18-23-28(6,7)25(3,4)5/h24H,8-17,19-22H2,1-7H3
InChIKeyOLLOTNOZNABSPN-UHFFFAOYSA-N
MW410.76 g/mol
LogP7.77
Rot. Bonds16

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

tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane (PubChem CID 170688804) has the molecular formula C25H50O2Si and a molecular weight of 410.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
PubChem CID170688804
Molecular FormulaC25H50O2Si
Molecular Weight410.76 g/mol
Exact Mass410.36
IUPAC Nametert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
SMILESCC(C)OCCCOCCCCCCCCCCCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O2Si/c1-24(2)27-22-19-21-26-20-17-15-13-11-9-8-10-12-14-16-18-23-28(6,7)25(3,4)5/h24H,8-17,19-22H2,1-7H3
InChIKeyOLLOTNOZNABSPN-UHFFFAOYSA-N
XLogP7.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 57.77
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

tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
Dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170688923
Silane, dimethyl(hex-4-yn-3-yloxy)octyloxy-
CID 91738893
Silane, dimethyl(hex-4-yn-3-yloxy)nonyloxy-
CID 91740020
Silane, dimethyl(non-5-yn-3-yloxy)decyloxy-
CID 91740249
Silane, dimethyl(hex-4-yn-3-yloxy)decyloxy-
CID 91740827
Silane, dimethyl(non-5-yn-3-yloxy)undecyloxy-
CID 91741052
Silane, dimethyl(hex-4-yn-3-yloxy)tridecyloxy-
CID 91742605
Silane, dimethyl(non-5-yn-3-yloxy)pentadecyloxy-
CID 91743366
Silane, dimethyl(hex-4-yn-3-yloxy)pentadecyloxy-
CID 91743605
Silane, dimethyl(hex-4-yn-3-yloxy)hexadecyloxy-
CID 91743989
Silane, dimethyl(hex-4-yn-3-yloxy)heptadecyloxy-
CID 91744329

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane (CID 170688804) is tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane is CC(C)OCCCOCCCCCCCCCCCC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The InChIKey is OLLOTNOZNABSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2Si/c1-24(2)27-22-19-21-26-20-17-15-13-11-9-8-10-12-14-16-18-23-28(6,7)25(3,4)5/h24H,8-17,19-22H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane has a molecular weight of 410.76 g/mol, XLogP of 7.77, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane is sourced from PubChem (CID 170688804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).