1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane

C23H44O2Si — CID 170688985

IUPAC1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane
SMILESCC(C)OCCCOCCCCCCCCCCCC#C[Si]1(C)CCC1
InChIInChI=1S/C23H44O2Si/c1-23(2)25-19-15-18-24-17-13-11-9-7-5-4-6-8-10-12-14-20-26(3)21-16-22-26/h23H,4-13,15-19,21-22H2,1-3H3
InChIKeyYBHCVCPZJFSDAL-UHFFFAOYSA-N
MW380.69 g/mol
LogP6.74
Rot. Bonds16

About 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane

1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane (PubChem CID 170688985) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane.

Molecular Properties

Compound Name1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane
PubChem CID170688985
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane
SMILESCC(C)OCCCOCCCCCCCCCCCC#C[Si]1(C)CCC1
InChIInChI=1S/C23H44O2Si/c1-23(2)25-19-15-18-24-17-13-11-9-7-5-4-6-8-10-12-14-20-26(3)21-16-22-26/h23H,4-13,15-19,21-22H2,1-3H3
InChIKeyYBHCVCPZJFSDAL-UHFFFAOYSA-N
XLogP6.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 56.74
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

1-methyl-1-[13-(3-propan-2-yloxypropylsulfanyl)tridec-1-ynyl]siletane
CID 170689215
trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
CID 170688837
1,6-di(propan-2-yloxy)hexane
CID 10899702
dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170688923
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
2-methyl-N-[3-(3-propan-2-yloxypropoxy)propyl]propan-2-amine
CID 166769035
14-(2-propan-2-yloxyethylsulfanyl)tetradec-1-ynylcyclobutane
CID 170689213
12-(3-propan-2-yloxypropoxy)dodecylbenzene
CID 170688779
2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine
CID 146520233

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane?
The IUPAC name of 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane (CID 170688985) is 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane.
What is the SMILES notation for 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane?
The canonical SMILES for 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane is CC(C)OCCCOCCCCCCCCCCCC#C[Si]1(C)CCC1.
What is the InChIKey of 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane?
The InChIKey is YBHCVCPZJFSDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-23(2)25-19-15-18-24-17-13-11-9-7-5-4-6-8-10-12-14-20-26(3)21-16-22-26/h23H,4-13,15-19,21-22H2,1-3H3.
What are the key properties of 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane?
1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane has a molecular weight of 380.69 g/mol, XLogP of 6.74, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane is sourced from PubChem (CID 170688985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).