[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane

C15H28OSi — CID 101393439

IUPAC[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)COC(/C(C)=C/C)/C(C)=C/C
InChIInChI=1S/C15H28OSi/c1-8-11-17(6,7)12-16-15(13(4)9-2)14(5)10-3/h8-10,15H,1,11-12H2,2-7H3/b13-9+,14-10+
InChIKeyVTONOWBMDVWGIR-UTLPMFLDSA-N
MW252.47 g/mol
LogP4.74
Rot. Bonds7

About [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane

[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane (PubChem CID 101393439) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane
PubChem CID101393439
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)COC(/C(C)=C/C)/C(C)=C/C
InChIInChI=1S/C15H28OSi/c1-8-11-17(6,7)12-16-15(13(4)9-2)14(5)10-3/h8-10,15H,1,11-12H2,2-7H3/b13-9+,14-10+
InChIKeyVTONOWBMDVWGIR-UTLPMFLDSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane?
The IUPAC name of [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane (CID 101393439) is [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane.
What is the SMILES notation for [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane?
The canonical SMILES for [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)COC(/C(C)=C/C)/C(C)=C/C.
What is the InChIKey of [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane?
The InChIKey is VTONOWBMDVWGIR-UTLPMFLDSA-N. The full InChI is InChI=1S/C15H28OSi/c1-8-11-17(6,7)12-16-15(13(4)9-2)14(5)10-3/h8-10,15H,1,11-12H2,2-7H3/b13-9+,14-10+.
What are the key properties of [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane?
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 101393439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).