(2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane

C10H19ClOSi — CID 13294017

IUPAC(2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane
SMILESC#CCOCCC(Cl)C[Si](C)(C)C
InChIInChI=1S/C10H19ClOSi/c1-5-7-12-8-6-10(11)9-13(2,3)4/h1,10H,6-9H2,2-4H3
InChIKeyMEXMJZSRUTYPBR-UHFFFAOYSA-N
MW218.80 g/mol
LogP2.97
Rot. Bonds6

About (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane

(2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane (PubChem CID 13294017) has the molecular formula C10H19ClOSi and a molecular weight of 218.80 g/mol. Its IUPAC name is (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane.

Molecular Properties

Compound Name(2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane
PubChem CID13294017
Molecular FormulaC10H19ClOSi
Molecular Weight218.80 g/mol
Exact Mass218.09
IUPAC Name(2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane
SMILESC#CCOCCC(Cl)C[Si](C)(C)C
InChIInChI=1S/C10H19ClOSi/c1-5-7-12-8-6-10(11)9-13(2,3)4/h1,10H,6-9H2,2-4H3
InChIKeyMEXMJZSRUTYPBR-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.80
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane?
The IUPAC name of (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane (CID 13294017) is (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane.
What is the SMILES notation for (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane?
The canonical SMILES for (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane is C#CCOCCC(Cl)C[Si](C)(C)C.
What is the InChIKey of (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane?
The InChIKey is MEXMJZSRUTYPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClOSi/c1-5-7-12-8-6-10(11)9-13(2,3)4/h1,10H,6-9H2,2-4H3.
What are the key properties of (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane?
(2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane has a molecular weight of 218.80 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-prop-2-ynoxybutyl)-trimethylsilane is sourced from PubChem (CID 13294017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).