cyclohexylmethyl-diethoxy-propan-2-ylsilane

C14H30O2Si — CID 18413037

IUPACcyclohexylmethyl-diethoxy-propan-2-ylsilane
SMILESCCO[Si](CC1CCCCC1)(OCC)C(C)C
InChIInChI=1S/C14H30O2Si/c1-5-15-17(13(3)4,16-6-2)12-14-10-8-7-9-11-14/h13-14H,5-12H2,1-4H3
InChIKeyNXDXSBLTWSXPFU-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.49
Rot. Bonds7

About cyclohexylmethyl-diethoxy-propan-2-ylsilane

cyclohexylmethyl-diethoxy-propan-2-ylsilane (PubChem CID 18413037) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is cyclohexylmethyl-diethoxy-propan-2-ylsilane.

Molecular Properties

Compound Namecyclohexylmethyl-diethoxy-propan-2-ylsilane
PubChem CID18413037
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Namecyclohexylmethyl-diethoxy-propan-2-ylsilane
SMILESCCO[Si](CC1CCCCC1)(OCC)C(C)C
InChIInChI=1S/C14H30O2Si/c1-5-15-17(13(3)4,16-6-2)12-14-10-8-7-9-11-14/h13-14H,5-12H2,1-4H3
InChIKeyNXDXSBLTWSXPFU-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexylmethyl-diethoxy-propan-2-ylsilane 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 cyclohexylmethyl-diethoxy-propan-2-ylsilane?
The IUPAC name of cyclohexylmethyl-diethoxy-propan-2-ylsilane (CID 18413037) is cyclohexylmethyl-diethoxy-propan-2-ylsilane.
What is the SMILES notation for cyclohexylmethyl-diethoxy-propan-2-ylsilane?
The canonical SMILES for cyclohexylmethyl-diethoxy-propan-2-ylsilane is CCO[Si](CC1CCCCC1)(OCC)C(C)C.
What is the InChIKey of cyclohexylmethyl-diethoxy-propan-2-ylsilane?
The InChIKey is NXDXSBLTWSXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-5-15-17(13(3)4,16-6-2)12-14-10-8-7-9-11-14/h13-14H,5-12H2,1-4H3.
What are the key properties of cyclohexylmethyl-diethoxy-propan-2-ylsilane?
cyclohexylmethyl-diethoxy-propan-2-ylsilane has a molecular weight of 258.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-diethoxy-propan-2-ylsilane is sourced from PubChem (CID 18413037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).