[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane

C19H38OSi — CID 71428448

IUPAC[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane
SMILESC=C(CC1CCCCC1)C(O[Si](CC)(CC)CC)C(C)C
InChIInChI=1S/C19H38OSi/c1-7-21(8-2,9-3)20-19(16(4)5)17(6)15-18-13-11-10-12-14-18/h16,18-19H,6-15H2,1-5H3
InChIKeyKFPKKWAEESWNDR-UHFFFAOYSA-N
MW310.60 g/mol
LogP6.56
Rot. Bonds9

About [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane

[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane (PubChem CID 71428448) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane
PubChem CID71428448
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane
SMILESC=C(CC1CCCCC1)C(O[Si](CC)(CC)CC)C(C)C
InChIInChI=1S/C19H38OSi/c1-7-21(8-2,9-3)20-19(16(4)5)17(6)15-18-13-11-10-12-14-18/h16,18-19H,6-15H2,1-5H3
InChIKeyKFPKKWAEESWNDR-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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 [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane?
The IUPAC name of [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane (CID 71428448) is [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane.
What is the SMILES notation for [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane?
The canonical SMILES for [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane is C=C(CC1CCCCC1)C(O[Si](CC)(CC)CC)C(C)C.
What is the InChIKey of [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane?
The InChIKey is KFPKKWAEESWNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OSi/c1-7-21(8-2,9-3)20-19(16(4)5)17(6)15-18-13-11-10-12-14-18/h16,18-19H,6-15H2,1-5H3.
What are the key properties of [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane?
[2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane has a molecular weight of 310.60 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)-4-methylpent-1-en-3-yl]oxy-triethylsilane is sourced from PubChem (CID 71428448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).