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

C19H36O3Si — CID 66658460

IUPAC1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane
SMILESC1=C(C2=CCCCCC2)CCCCC1.CC[Si](OC)(OC)OC
InChIInChI=1S/C14H22.C5H14O3Si/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-5-9(6-2,7-3)8-4/h9,11H,1-8,10,12H2;5H2,1-4H3
InChIKeyKYJYRKPSNSFMSD-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.65
Rot. Bonds5

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

1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane (PubChem CID 66658460) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane
PubChem CID66658460
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane
SMILESC1=C(C2=CCCCCC2)CCCCC1.CC[Si](OC)(OC)OC
InChIInChI=1S/C14H22.C5H14O3Si/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-5-9(6-2,7-3)8-4/h9,11H,1-8,10,12H2;5H2,1-4H3
InChIKeyKYJYRKPSNSFMSD-UHFFFAOYSA-N
XLogP5.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane?
The IUPAC name of 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane (CID 66658460) is 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane.
What is the SMILES notation for 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane?
The canonical SMILES for 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane is C1=C(C2=CCCCCC2)CCCCC1.CC[Si](OC)(OC)OC.
What is the InChIKey of 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane?
The InChIKey is KYJYRKPSNSFMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C5H14O3Si/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-5-9(6-2,7-3)8-4/h9,11H,1-8,10,12H2;5H2,1-4H3.
What are the key properties of 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane?
1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane has a molecular weight of 340.58 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)cycloheptene;ethyl(trimethoxy)silane is sourced from PubChem (CID 66658460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).