4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL

C11H21O2Si — CID 78067307

IUPAC—
SMILESCC[Si](C#CCOCCCCO)CC
InChIInChI=1S/C11H21O2Si/c1-3-14(4-2)11-7-10-13-9-6-5-8-12/h12H,3-6,8-10H2,1-2H3
InChIKeyDZKDZZRSQGPCLM-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.85
Rot. Bonds7

About 4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL

4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL (PubChem CID 78067307) has the molecular formula C11H21O2Si and a molecular weight of 213.37 g/mol.

Molecular Properties

Compound Name4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL
PubChem CID78067307
Molecular FormulaC11H21O2Si
Molecular Weight213.37 g/mol
Exact Mass213.13
IUPAC Name—
SMILESCC[Si](C#CCOCCCCO)CC
InChIInChI=1S/C11H21O2Si/c1-3-14(4-2)11-7-10-13-9-6-5-8-12/h12H,3-6,8-10H2,1-2H3
InChIKeyDZKDZZRSQGPCLM-UHFFFAOYSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
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

4-(3-chloroprop-2-ynoxy)butan-1-ol
CID 23282419
10-ethoxydecan-1-ol
CID 22412883
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
12-prop-2-ynoxydodecan-1-ol
CID 21311697
5-prop-2-ynoxypentan-1-ol
CID 10796854
5-octoxypentan-1-ol
CID 22407981
9-nonoxynonan-1-ol
CID 57318642
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
CID 156865166
CID 156865166
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
4-(ethoxymethoxymethoxy)butan-1-ol
CID 57011748

Frequently Asked Questions

What is the IUPAC name of 4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL?
The IUPAC name of 4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL (CID 78067307) is not available.
What is the SMILES notation for 4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL?
The canonical SMILES for 4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL is CC[Si](C#CCOCCCCO)CC.
What is the InChIKey of 4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL?
The InChIKey is DZKDZZRSQGPCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O2Si/c1-3-14(4-2)11-7-10-13-9-6-5-8-12/h12H,3-6,8-10H2,1-2H3.
What are the key properties of 4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL?
4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL has a molecular weight of 213.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-{[3-(Diethylsilyl)prop-2-YN-1-YL]oxy}butan-1-OL is sourced from PubChem (CID 78067307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).