[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane

C17H28Cl2Si — CID 90108600

IUPAC[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane
SMILESCCC[Si](Cl)(Cl)C1C2CCC(C2)C1C1CC2CCC1C2
InChIInChI=1S/C17H28Cl2Si/c1-2-7-20(18,19)17-14-6-5-13(10-14)16(17)15-9-11-3-4-12(15)8-11/h11-17H,2-10H2,1H3
InChIKeyKRHXDZYJSLUDON-UHFFFAOYSA-N
MW331.40 g/mol
LogP6.17
Rot. Bonds4

About [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane

[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane (PubChem CID 90108600) has the molecular formula C17H28Cl2Si and a molecular weight of 331.40 g/mol. Its IUPAC name is [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane.

Molecular Properties

Compound Name[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane
PubChem CID90108600
Molecular FormulaC17H28Cl2Si
Molecular Weight331.40 g/mol
Exact Mass330.13
IUPAC Name[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane
SMILESCCC[Si](Cl)(Cl)C1C2CCC(C2)C1C1CC2CCC1C2
InChIInChI=1S/C17H28Cl2Si/c1-2-7-20(18,19)17-14-6-5-13(10-14)16(17)15-9-11-3-4-12(15)8-11/h11-17H,2-10H2,1H3
InChIKeyKRHXDZYJSLUDON-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 56.17
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

[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
CID 90107245
2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane
CID 102145393
2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
2-(2-bicyclo[2.2.1]heptanyl)-2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene
CID 123771301
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
(2R,3S,5S)-N-propyltricyclo[4.2.1.02,5]nonan-3-amine
CID 178190786
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine
CID 114246999
2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine
CID 167045827
4-chlorotricyclo[5.2.1.02,6]decan-3-ol
CID 59863169

Frequently Asked Questions

What is the IUPAC name of [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane?
The IUPAC name of [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane (CID 90108600) is [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane.
What is the SMILES notation for [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane?
The canonical SMILES for [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane is CCC[Si](Cl)(Cl)C1C2CCC(C2)C1C1CC2CCC1C2.
What is the InChIKey of [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane?
The InChIKey is KRHXDZYJSLUDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2Si/c1-2-7-20(18,19)17-14-6-5-13(10-14)16(17)15-9-11-3-4-12(15)8-11/h11-17H,2-10H2,1H3.
What are the key properties of [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane?
[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane has a molecular weight of 331.40 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane is sourced from PubChem (CID 90108600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).