tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane

C19H38OSi — CID 101421064

IUPACtert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane
SMILESC=C(CC1CCCCC1)C(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C19H38OSi/c1-15(2)18(20-21(7,8)19(4,5)6)16(3)14-17-12-10-9-11-13-17/h15,17-18H,3,9-14H2,1-2,4-8H3
InChIKeyIPKYYOVPSZWKKG-UHFFFAOYSA-N
MW310.60 g/mol
LogP6.56
Rot. Bonds6

About tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 101421064) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane
PubChem CID101421064
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Nametert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane
SMILESC=C(CC1CCCCC1)C(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C19H38OSi/c1-15(2)18(20-21(7,8)19(4,5)6)16(3)14-17-12-10-9-11-13-17/h15,17-18H,3,9-14H2,1-2,4-8H3
InChIKeyIPKYYOVPSZWKKG-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.56
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane (CID 101421064) is tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane is C=C(CC1CCCCC1)C(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is IPKYYOVPSZWKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OSi/c1-15(2)18(20-21(7,8)19(4,5)6)16(3)14-17-12-10-9-11-13-17/h15,17-18H,3,9-14H2,1-2,4-8H3.
What are the key properties of tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 310.60 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 101421064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).