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

C18H33ClSi — CID 66646162

IUPACchloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene
SMILESC1=C(C2=CCCCCC2)CCCCC1.CC[Si](C)(C)Cl
InChIInChI=1S/C14H22.C4H11ClSi/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-4-6(2,3)5/h9,11H,1-8,10,12H2;4H2,1-3H3
InChIKeyRLZQBNHSMOLZLS-UHFFFAOYSA-N
MW313.00 g/mol
LogP7.22
Rot. Bonds2

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

chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene (PubChem CID 66646162) has the molecular formula C18H33ClSi and a molecular weight of 313.00 g/mol. Its IUPAC name is chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene.

Molecular Properties

Compound Namechloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene
PubChem CID66646162
Molecular FormulaC18H33ClSi
Molecular Weight313.00 g/mol
Exact Mass312.20
IUPAC Namechloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene
SMILESC1=C(C2=CCCCCC2)CCCCC1.CC[Si](C)(C)Cl
InChIInChI=1S/C14H22.C4H11ClSi/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-4-6(2,3)5/h9,11H,1-8,10,12H2;4H2,1-3H3
InChIKeyRLZQBNHSMOLZLS-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.00
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane
CID 67277470
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
CID 67945351
CID 67945351
[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-trimethylsilane
CID 67342185
[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane
CID 54471176
bis(1-(cyclohepten-1-yl)cycloheptene);1,1-di(propan-2-yloxy)decane
CID 161454601
6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one
CID 67426951
8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine
CID 67389294
N,N-diethylcycloocten-1-amine oxide
CID 175982380
cyclohexen-1-ylmethyl(trimethyl)silane
CID 10964921

Frequently Asked Questions

What is the IUPAC name of chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene?
The IUPAC name of chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene (CID 66646162) is chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene.
What is the SMILES notation for chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene?
The canonical SMILES for chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene is C1=C(C2=CCCCCC2)CCCCC1.CC[Si](C)(C)Cl.
What is the InChIKey of chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene?
The InChIKey is RLZQBNHSMOLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C4H11ClSi/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14;1-4-6(2,3)5/h9,11H,1-8,10,12H2;4H2,1-3H3.
What are the key properties of chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene?
chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene has a molecular weight of 313.00 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene is sourced from PubChem (CID 66646162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).