1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane

C16H27Cl3Si — CID 67277470

IUPAC1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane
SMILESC1=C(C2=CCCCCC2)CCCCC1.CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C14H22.C2H5Cl3Si/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-2-6(3,4)5/h9,11H,1-8,10,12H2;2H2,1H3
InChIKeyXTNIJSRARDCWAB-UHFFFAOYSA-N
MW353.84 g/mol
LogP7.43
Rot. Bonds2

About 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane

1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane (PubChem CID 67277470) has the molecular formula C16H27Cl3Si and a molecular weight of 353.84 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane
PubChem CID67277470
Molecular FormulaC16H27Cl3Si
Molecular Weight353.84 g/mol
Exact Mass352.09
IUPAC Name1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane
SMILESC1=C(C2=CCCCCC2)CCCCC1.CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C14H22.C2H5Cl3Si/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-2-6(3,4)5/h9,11H,1-8,10,12H2;2H2,1H3
InChIKeyXTNIJSRARDCWAB-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.84
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane?
The IUPAC name of 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane (CID 67277470) is 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane.
What is the SMILES notation for 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane?
The canonical SMILES for 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane is C1=C(C2=CCCCCC2)CCCCC1.CC[Si](Cl)(Cl)Cl.
What is the InChIKey of 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane?
The InChIKey is XTNIJSRARDCWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C2H5Cl3Si/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-2-6(3,4)5/h9,11H,1-8,10,12H2;2H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane?
1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane has a molecular weight of 353.84 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane is sourced from PubChem (CID 67277470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).