2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane

C14H26OSi — CID 123780948

IUPAC2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane
SMILESCCC[SiH](CCC)OCC1CC2C=CC1C2
InChIInChI=1S/C14H26OSi/c1-3-7-16(8-4-2)15-11-14-10-12-5-6-13(14)9-12/h5-6,12-14,16H,3-4,7-11H2,1-2H3
InChIKeyXGHFTNRPCXTGQP-UHFFFAOYSA-N
MW238.45 g/mol
LogP3.76
Rot. Bonds7

About 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane

2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane (PubChem CID 123780948) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane
PubChem CID123780948
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane
SMILESCCC[SiH](CCC)OCC1CC2C=CC1C2
InChIInChI=1S/C14H26OSi/c1-3-7-16(8-4-2)15-11-14-10-12-5-6-13(14)9-12/h5-6,12-14,16H,3-4,7-11H2,1-2H3
InChIKeyXGHFTNRPCXTGQP-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane (CID 123780948) is 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane is CCC[SiH](CCC)OCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane?
The InChIKey is XGHFTNRPCXTGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-3-7-16(8-4-2)15-11-14-10-12-5-6-13(14)9-12/h5-6,12-14,16H,3-4,7-11H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane?
2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane has a molecular weight of 238.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethoxy(dipropyl)silane is sourced from PubChem (CID 123780948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).