1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane

C14H24OSi — CID 102514252

IUPAC1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane
SMILESC[Si](C)(C)OC12CC1CCCC1=C2CCC1
InChIInChI=1S/C14H24OSi/c1-16(2,3)15-14-10-12(14)8-4-6-11-7-5-9-13(11)14/h12H,4-10H2,1-3H3
InChIKeyZAZHUVPPGLIEMV-UHFFFAOYSA-N
MW236.43 g/mol
LogP4.26
Rot. Bonds2

About 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane

1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane (PubChem CID 102514252) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane.

Molecular Properties

Compound Name1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane
PubChem CID102514252
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane
SMILESC[Si](C)(C)OC12CC1CCCC1=C2CCC1
InChIInChI=1S/C14H24OSi/c1-16(2,3)15-14-10-12(14)8-4-6-11-7-5-9-13(11)14/h12H,4-10H2,1-3H3
InChIKeyZAZHUVPPGLIEMV-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 54.26
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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Related Compounds

(3-But-3-enyl-1-bicyclo[5.1.0]oct-2-enyl)oxy-trimethylsilane
CID 11075903
1-Bicyclo[5.1.0]oct-2-enyloxy(trimethyl)silane
CID 86204527
Trimethyl-[(2-methyl-1-bicyclo[5.1.0]oct-2-enyl)oxy]silane
CID 102124033

Frequently Asked Questions

What is the IUPAC name of 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane?
The IUPAC name of 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane (CID 102514252) is 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane.
What is the SMILES notation for 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane?
The canonical SMILES for 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane is C[Si](C)(C)OC12CC1CCCC1=C2CCC1.
What is the InChIKey of 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane?
The InChIKey is ZAZHUVPPGLIEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-16(2,3)15-14-10-12(14)8-4-6-11-7-5-9-13(11)14/h12H,4-10H2,1-3H3.
What are the key properties of 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane?
1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane has a molecular weight of 236.43 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,2,3,4,5,6,7-octahydrocyclopropa[e]azulen-7b-yloxy(trimethyl)silane is sourced from PubChem (CID 102514252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).