1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane

C19H36OSi — CID 66646168

IUPAC1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane
SMILESC1=C(C2=CCCCCC2)CCCCC1.CC[Si](C)(C)OC
InChIInChI=1S/C14H22.C5H14OSi/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-5-7(3,4)6-2/h9,11H,1-8,10,12H2;5H2,1-4H3
InChIKeyDAHRIIXJESWERM-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.63
Rot. Bonds3

About 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane

1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane (PubChem CID 66646168) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane
PubChem CID66646168
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane
SMILESC1=C(C2=CCCCCC2)CCCCC1.CC[Si](C)(C)OC
InChIInChI=1S/C14H22.C5H14OSi/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-5-7(3,4)6-2/h9,11H,1-8,10,12H2;5H2,1-4H3
InChIKeyDAHRIIXJESWERM-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane?
The IUPAC name of 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane (CID 66646168) is 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane.
What is the SMILES notation for 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane?
The canonical SMILES for 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane is C1=C(C2=CCCCCC2)CCCCC1.CC[Si](C)(C)OC.
What is the InChIKey of 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane?
The InChIKey is DAHRIIXJESWERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C5H14OSi/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-5-7(3,4)6-2/h9,11H,1-8,10,12H2;5H2,1-4H3.
What are the key properties of 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane?
1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)cycloheptene;ethyl-methoxy-dimethylsilane is sourced from PubChem (CID 66646168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).