methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride

C29H42Cl3FSi — CID 174502115

IUPACmethane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride
SMILESC.CCCCCCCCCC[Si](Cl)(Cl)Cl.F.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C10H21Cl3Si.CH4.FH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-3-4-5-6-7-8-9-10-14(11,12)13;;/h1,3,5,7,9-12H,2,4,6,8H2;2-10H2,1H3;1H4;1H
InChIKeyUTWVPJSAVJEYOF-UHFFFAOYSA-N
MW544.10 g/mol
LogP11.44
Rot. Bonds9

About methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride

methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride (PubChem CID 174502115) has the molecular formula C29H42Cl3FSi and a molecular weight of 544.10 g/mol. Its IUPAC name is methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride.

Molecular Properties

Compound Namemethane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride
PubChem CID174502115
Molecular FormulaC29H42Cl3FSi
Molecular Weight544.10 g/mol
Exact Mass542.21
IUPAC Namemethane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride
SMILESC.CCCCCCCCCC[Si](Cl)(Cl)Cl.F.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C10H21Cl3Si.CH4.FH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-3-4-5-6-7-8-9-10-14(11,12)13;;/h1,3,5,7,9-12H,2,4,6,8H2;2-10H2,1H3;1H4;1H
InChIKeyUTWVPJSAVJEYOF-UHFFFAOYSA-N
XLogP11.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.10
LogP ≤ 511.44
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride?
The IUPAC name of methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride (CID 174502115) is methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride.
What is the SMILES notation for methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride?
The canonical SMILES for methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride is C.CCCCCCCCCC[Si](Cl)(Cl)Cl.F.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.
What is the InChIKey of methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride?
The InChIKey is UTWVPJSAVJEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C10H21Cl3Si.CH4.FH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-3-4-5-6-7-8-9-10-14(11,12)13;;/h1,3,5,7,9-12H,2,4,6,8H2;2-10H2,1H3;1H4;1H.
What are the key properties of methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride?
methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride has a molecular weight of 544.10 g/mol, XLogP of 11.44, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride is sourced from PubChem (CID 174502115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).