butoxy-dichloro-prop-2-enylsilane

C7H14Cl2OSi — CID 71343450

IUPACbutoxy-dichloro-prop-2-enylsilane
SMILESC=CC[Si](Cl)(Cl)OCCCC
InChIInChI=1S/C7H14Cl2OSi/c1-3-5-6-10-11(8,9)7-4-2/h4H,2-3,5-7H2,1H3
InChIKeyTUUVQELAQSGJNB-UHFFFAOYSA-N
MW213.18 g/mol
LogP3.41
Rot. Bonds6

About butoxy-dichloro-prop-2-enylsilane

butoxy-dichloro-prop-2-enylsilane (PubChem CID 71343450) has the molecular formula C7H14Cl2OSi and a molecular weight of 213.18 g/mol. Its IUPAC name is butoxy-dichloro-prop-2-enylsilane.

Molecular Properties

Compound Namebutoxy-dichloro-prop-2-enylsilane
PubChem CID71343450
Molecular FormulaC7H14Cl2OSi
Molecular Weight213.18 g/mol
Exact Mass212.02
IUPAC Namebutoxy-dichloro-prop-2-enylsilane
SMILESC=CC[Si](Cl)(Cl)OCCCC
InChIInChI=1S/C7H14Cl2OSi/c1-3-5-6-10-11(8,9)7-4-2/h4H,2-3,5-7H2,1H3
InChIKeyTUUVQELAQSGJNB-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butoxy-dichloro-prop-2-enylsilane?
The IUPAC name of butoxy-dichloro-prop-2-enylsilane (CID 71343450) is butoxy-dichloro-prop-2-enylsilane.
What is the SMILES notation for butoxy-dichloro-prop-2-enylsilane?
The canonical SMILES for butoxy-dichloro-prop-2-enylsilane is C=CC[Si](Cl)(Cl)OCCCC.
What is the InChIKey of butoxy-dichloro-prop-2-enylsilane?
The InChIKey is TUUVQELAQSGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2OSi/c1-3-5-6-10-11(8,9)7-4-2/h4H,2-3,5-7H2,1H3.
What are the key properties of butoxy-dichloro-prop-2-enylsilane?
butoxy-dichloro-prop-2-enylsilane has a molecular weight of 213.18 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dichloro-prop-2-enylsilane is sourced from PubChem (CID 71343450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).