2-methylheptane;trichloro(decyl)silane;hydrofluoride

C18H40Cl3FSi — CID 174930865

IUPAC2-methylheptane;trichloro(decyl)silane;hydrofluoride
SMILESCCCCCC(C)C.CCCCCCCCCC[Si](Cl)(Cl)Cl.F
InChIInChI=1S/C10H21Cl3Si.C8H18.FH/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;1-4-5-6-7-8(2)3;/h2-10H2,1H3;8H,4-7H2,1-3H3;1H
InChIKeyCQBQQFHRYBENKC-UHFFFAOYSA-N
MW409.96 g/mol
LogP9.16
Rot. Bonds13

About 2-methylheptane;trichloro(decyl)silane;hydrofluoride

2-methylheptane;trichloro(decyl)silane;hydrofluoride (PubChem CID 174930865) has the molecular formula C18H40Cl3FSi and a molecular weight of 409.96 g/mol. Its IUPAC name is 2-methylheptane;trichloro(decyl)silane;hydrofluoride.

Molecular Properties

Compound Name2-methylheptane;trichloro(decyl)silane;hydrofluoride
PubChem CID174930865
Molecular FormulaC18H40Cl3FSi
Molecular Weight409.96 g/mol
Exact Mass408.19
IUPAC Name2-methylheptane;trichloro(decyl)silane;hydrofluoride
SMILESCCCCCC(C)C.CCCCCCCCCC[Si](Cl)(Cl)Cl.F
InChIInChI=1S/C10H21Cl3Si.C8H18.FH/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;1-4-5-6-7-8(2)3;/h2-10H2,1H3;8H,4-7H2,1-3H3;1H
InChIKeyCQBQQFHRYBENKC-UHFFFAOYSA-N
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 59.16
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

2-methylnonane;heptahydrofluoride
CID 160801749
trichloro(octyl)silane
CID 21354
dichloro(dimethyl)silane;2-methylheptane
CID 87807519
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
chlorosilane;trichloro(tetradecyl)silane
CID 159383155
chlorosilane;2-methylundecane
CID 173228312
2-methyltricosane;hydrate
CID 172783998
alumane;2-methyldecane
CID 174844655
azane;2-methyloctadecane
CID 175414560

Frequently Asked Questions

What is the IUPAC name of 2-methylheptane;trichloro(decyl)silane;hydrofluoride?
The IUPAC name of 2-methylheptane;trichloro(decyl)silane;hydrofluoride (CID 174930865) is 2-methylheptane;trichloro(decyl)silane;hydrofluoride.
What is the SMILES notation for 2-methylheptane;trichloro(decyl)silane;hydrofluoride?
The canonical SMILES for 2-methylheptane;trichloro(decyl)silane;hydrofluoride is CCCCCC(C)C.CCCCCCCCCC[Si](Cl)(Cl)Cl.F.
What is the InChIKey of 2-methylheptane;trichloro(decyl)silane;hydrofluoride?
The InChIKey is CQBQQFHRYBENKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Cl3Si.C8H18.FH/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;1-4-5-6-7-8(2)3;/h2-10H2,1H3;8H,4-7H2,1-3H3;1H.
What are the key properties of 2-methylheptane;trichloro(decyl)silane;hydrofluoride?
2-methylheptane;trichloro(decyl)silane;hydrofluoride has a molecular weight of 409.96 g/mol, XLogP of 9.16, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptane;trichloro(decyl)silane;hydrofluoride is sourced from PubChem (CID 174930865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).