carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane

C16H25ClO4Si — CID 160798883

IUPACcarbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCC(C)c1ccc(OCOCC[Si](C)(C)C)cc1Cl.O=C=O
InChIInChI=1S/C15H25ClO2Si.CO2/c1-12(2)14-7-6-13(10-15(14)16)18-11-17-8-9-19(3,4)5;2-1-3/h6-7,10,12H,8-9,11H2,1-5H3;
InChIKeySCULDYYCMPRXTN-UHFFFAOYSA-N
MW344.91 g/mol
LogP4.57
Rot. Bonds7

About carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane

carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 160798883) has the molecular formula C16H25ClO4Si and a molecular weight of 344.91 g/mol. Its IUPAC name is carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Namecarbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane
PubChem CID160798883
Molecular FormulaC16H25ClO4Si
Molecular Weight344.91 g/mol
Exact Mass344.12
IUPAC Namecarbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCC(C)c1ccc(OCOCC[Si](C)(C)C)cc1Cl.O=C=O
InChIInChI=1S/C15H25ClO2Si.CO2/c1-12(2)14-7-6-13(10-15(14)16)18-11-17-8-9-19(3,4)5;2-1-3/h6-7,10,12H,8-9,11H2,1-5H3;
InChIKeySCULDYYCMPRXTN-UHFFFAOYSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane (CID 160798883) is carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane is CC(C)c1ccc(OCOCC[Si](C)(C)C)cc1Cl.O=C=O.
What is the InChIKey of carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is SCULDYYCMPRXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2Si.CO2/c1-12(2)14-7-6-13(10-15(14)16)18-11-17-8-9-19(3,4)5;2-1-3/h6-7,10,12H,8-9,11H2,1-5H3;.
What are the key properties of carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane?
carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 344.91 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 160798883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).