ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane

C23H46O2Si — CID 170688855

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

About ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane

ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane (PubChem CID 170688855) has the molecular formula C23H46O2Si and a molecular weight of 382.71 g/mol. Its IUPAC name is ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane.

Molecular Properties

Compound Nameethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane
PubChem CID170688855
Molecular FormulaC23H46O2Si
Molecular Weight382.71 g/mol
Exact Mass382.33
IUPAC Nameethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane
SMILESCC[Si](C)(C)C#CCCCCCCCCCCCCOCCOC(C)C
InChIInChI=1S/C23H46O2Si/c1-6-26(4,5)22-18-16-14-12-10-8-7-9-11-13-15-17-19-24-20-21-25-23(2)3/h23H,6-17,19-21H2,1-5H3
InChIKeyXFINWMOGZZSMGJ-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-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170689083
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, diethyl(2-ethoxyethyloxy)octyloxy-
CID 91740366
Silane, dimethyl(hex-4-yn-3-yloxy)decyloxy-
CID 91740827
Silane, dimethyl(non-5-yn-3-yloxy)undecyloxy-
CID 91741052
Silane, diethyldecyloxy(2-ethoxyethyloxy)-
CID 91741736
Silane, diethyl(2-ethoxyethyloxy)undecyloxy-
CID 91742387
Silane, dimethyl(hex-4-yn-3-yloxy)tridecyloxy-
CID 91742605
Silane, diethyldodecyloxy(2-ethoxyethyloxy)-
CID 91742953
Silane, dimethyl(non-5-yn-3-yloxy)pentadecyloxy-
CID 91743366

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane?
The IUPAC name of ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane (CID 170688855) is ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane.
What is the SMILES notation for ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane?
The canonical SMILES for ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane is CC[Si](C)(C)C#CCCCCCCCCCCCCOCCOC(C)C.
What is the InChIKey of ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane?
The InChIKey is XFINWMOGZZSMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2Si/c1-6-26(4,5)22-18-16-14-12-10-8-7-9-11-13-15-17-19-24-20-21-25-23(2)3/h23H,6-17,19-21H2,1-5H3.
What are the key properties of ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane?
ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-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-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane is sourced from PubChem (CID 170688855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).