tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane

C14H30OSi — CID 12965499

IUPACtert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane
SMILESC=C(C)[C@H](CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-9-10-11-13(12(2)3)15-16(7,8)14(4,5)6/h13H,2,9-11H2,1,3-8H3/t13-/m0/s1
InChIKeyNDQRCHAFXNILTF-ZDUSSCGKSA-N
MW242.48 g/mol
LogP5.14
Rot. Bonds6

About tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane

tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane (PubChem CID 12965499) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane
PubChem CID12965499
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane
SMILESC=C(C)[C@H](CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-9-10-11-13(12(2)3)15-16(7,8)14(4,5)6/h13H,2,9-11H2,1,3-8H3/t13-/m0/s1
InChIKeyNDQRCHAFXNILTF-ZDUSSCGKSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.14
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 tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane (CID 12965499) is tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane is C=C(C)[C@H](CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane?
The InChIKey is NDQRCHAFXNILTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30OSi/c1-9-10-11-13(12(2)3)15-16(7,8)14(4,5)6/h13H,2,9-11H2,1,3-8H3/t13-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane has a molecular weight of 242.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-2-methylhept-1-en-3-yl]oxysilane is sourced from PubChem (CID 12965499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).