dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane

C18H24Si — CID 23282037

IUPACdimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane
SMILESC[Si](C)(C1C=C2CCCC2=C1)C1C=C2CCCC2=C1
InChIInChI=1S/C18H24Si/c1-19(2,17-9-13-5-3-6-14(13)10-17)18-11-15-7-4-8-16(15)12-18/h9-12,17-18H,3-8H2,1-2H3
InChIKeyBKOULXTVYGMNMO-UHFFFAOYSA-N
MW268.48 g/mol
LogP5.54
Rot. Bonds2

About dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane

dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane (PubChem CID 23282037) has the molecular formula C18H24Si and a molecular weight of 268.48 g/mol. Its IUPAC name is dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane
PubChem CID23282037
Molecular FormulaC18H24Si
Molecular Weight268.48 g/mol
Exact Mass268.16
IUPAC Namedimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane
SMILESC[Si](C)(C1C=C2CCCC2=C1)C1C=C2CCCC2=C1
InChIInChI=1S/C18H24Si/c1-19(2,17-9-13-5-3-6-14(13)10-17)18-11-15-7-4-8-16(15)12-18/h9-12,17-18H,3-8H2,1-2H3
InChIKeyBKOULXTVYGMNMO-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane?
The IUPAC name of dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane (CID 23282037) is dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane.
What is the SMILES notation for dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane?
The canonical SMILES for dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane is C[Si](C)(C1C=C2CCCC2=C1)C1C=C2CCCC2=C1.
What is the InChIKey of dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane?
The InChIKey is BKOULXTVYGMNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Si/c1-19(2,17-9-13-5-3-6-14(13)10-17)18-11-15-7-4-8-16(15)12-18/h9-12,17-18H,3-8H2,1-2H3.
What are the key properties of dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane?
dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane has a molecular weight of 268.48 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2,4,5,6-tetrahydropentalen-2-yl)silane is sourced from PubChem (CID 23282037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).