tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane

C16H32OSi — CID 135044157

IUPACtert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane
SMILESC=CC/C(=C\[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-10-11-15(13(2)3)12-14(4)17-18(8,9)16(5,6)7/h10,12-14H,1,11H2,2-9H3/b15-12+/t14-/m1/s1
InChIKeyRVJRMTUAFOFVGS-FQZGENGWSA-N
MW268.52 g/mol
LogP5.56
Rot. Bonds6

About tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane

tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane (PubChem CID 135044157) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane
PubChem CID135044157
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane
SMILESC=CC/C(=C\[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-10-11-15(13(2)3)12-14(4)17-18(8,9)16(5,6)7/h10,12-14H,1,11H2,2-9H3/b15-12+/t14-/m1/s1
InChIKeyRVJRMTUAFOFVGS-FQZGENGWSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.56
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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Related Compounds

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CID 6536899
Farnesol, tert-butyldimethylsilyl ether
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Ctk0J4668
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[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
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6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 135063549
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Tributylsilyloxyoct-3-ene
CID 5353200
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane (CID 135044157) is tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane is C=CC/C(=C\[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane?
The InChIKey is RVJRMTUAFOFVGS-FQZGENGWSA-N. The full InChI is InChI=1S/C16H32OSi/c1-10-11-15(13(2)3)12-14(4)17-18(8,9)16(5,6)7/h10,12-14H,1,11H2,2-9H3/b15-12+/t14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane has a molecular weight of 268.52 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane is sourced from PubChem (CID 135044157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).