hexan-3-yl(tetradecyl)silane

C20H44Si — CID 174716581

IUPAChexan-3-yl(tetradecyl)silane
SMILESCCCCCCCCCCCCCC[SiH2]C(CC)CCC
InChIInChI=1S/C20H44Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-21-20(6-3)18-5-2/h20H,4-19,21H2,1-3H3
InChIKeyDIFSLOFZHADWMZ-UHFFFAOYSA-N
MW312.66 g/mol
LogP7.27
Rot. Bonds17

About hexan-3-yl(tetradecyl)silane

hexan-3-yl(tetradecyl)silane (PubChem CID 174716581) has the molecular formula C20H44Si and a molecular weight of 312.66 g/mol. Its IUPAC name is hexan-3-yl(tetradecyl)silane.

Molecular Properties

Compound Namehexan-3-yl(tetradecyl)silane
PubChem CID174716581
Molecular FormulaC20H44Si
Molecular Weight312.66 g/mol
Exact Mass312.32
IUPAC Namehexan-3-yl(tetradecyl)silane
SMILESCCCCCCCCCCCCCC[SiH2]C(CC)CCC
InChIInChI=1S/C20H44Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-21-20(6-3)18-5-2/h20H,4-19,21H2,1-3H3
InChIKeyDIFSLOFZHADWMZ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.66
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloromethyl(dodecyl)silane
CID 154088389
dichloromethyl(tetradecyl)silane
CID 57351248
diethoxymethyl(heptadecyl)silane
CID 154220252
diethoxymethyl(tridecyl)silane
CID 154372881
trichloro(2-pentacosan-13-ylsilylethyl)silane
CID 173227893
chloro-(2-heptadecan-9-ylsilylethyl)-dimethylsilane
CID 173476693
fluoro(hexadecyl)silane
CID 154076101
henicosyl(methyl)silane
CID 158685051
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
hexacosan-13-yl(methyl)silane
CID 173227781
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of hexan-3-yl(tetradecyl)silane?
The IUPAC name of hexan-3-yl(tetradecyl)silane (CID 174716581) is hexan-3-yl(tetradecyl)silane.
What is the SMILES notation for hexan-3-yl(tetradecyl)silane?
The canonical SMILES for hexan-3-yl(tetradecyl)silane is CCCCCCCCCCCCCC[SiH2]C(CC)CCC.
What is the InChIKey of hexan-3-yl(tetradecyl)silane?
The InChIKey is DIFSLOFZHADWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-21-20(6-3)18-5-2/h20H,4-19,21H2,1-3H3.
What are the key properties of hexan-3-yl(tetradecyl)silane?
hexan-3-yl(tetradecyl)silane has a molecular weight of 312.66 g/mol, XLogP of 7.27, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-yl(tetradecyl)silane is sourced from PubChem (CID 174716581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).