CID 68965144

C14H22ClOSi — CID 68965144

IUPAC—
SMILESC[Si](C)c1cc(C(C)(C)CCCl)ccc1CO
InChIInChI=1S/C14H22ClOSi/c1-14(2,7-8-15)12-6-5-11(10-16)13(9-12)17(3)4/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyIEIZEXQHMMEBPK-UHFFFAOYSA-N
MW269.87 g/mol
LogP3.05
Rot. Bonds5

About CID 68965144

CID 68965144 (PubChem CID 68965144) has the molecular formula C14H22ClOSi and a molecular weight of 269.87 g/mol.

Molecular Properties

Compound NameCID 68965144
PubChem CID68965144
Molecular FormulaC14H22ClOSi
Molecular Weight269.87 g/mol
Exact Mass269.11
IUPAC Name—
SMILESC[Si](C)c1cc(C(C)(C)CCCl)ccc1CO
InChIInChI=1S/C14H22ClOSi/c1-14(2,7-8-15)12-6-5-11(10-16)13(9-12)17(3)4/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyIEIZEXQHMMEBPK-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 68965144 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-(4-chloro-2-methylbutan-2-yl)-4-propylbenzene
CID 79837445
4-(4-chloro-2-methylbutan-2-yl)-1,2-diethoxybenzene
CID 79838006
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
CID 142867085
2-(3,4-diethylphenyl)-2-methylpropan-1-ol
CID 117295283
5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene
CID 83068458
5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol
CID 117278731
1-[4-[4-[3,4-bis(hydroxymethyl)phenyl]-2-methylbutan-2-yl]-2-methylphenyl]sulfanyl-3-methylbutan-2-ol
CID 10341872
1-[4-[4-[3,4-bis(hydroxymethyl)phenyl]-2-methylbutan-2-yl]-2-methylphenoxy]-3-methylbutan-2-ol
CID 11741732
1-[4-[4-[3,4-bis(hydroxymethyl)phenyl]-2-methylbutan-2-yl]-2-ethylphenyl]sulfanyl-3,3-dimethylbutan-2-ol
CID 10003597
3-(4-ethylphenyl)-3-methylbutan-1-ol
CID 79837245
[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol
CID 58348907

Frequently Asked Questions

What is the IUPAC name of CID 68965144?
The IUPAC name of CID 68965144 (CID 68965144) is not available.
What is the SMILES notation for CID 68965144?
The canonical SMILES for CID 68965144 is C[Si](C)c1cc(C(C)(C)CCCl)ccc1CO.
What is the InChIKey of CID 68965144?
The InChIKey is IEIZEXQHMMEBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClOSi/c1-14(2,7-8-15)12-6-5-11(10-16)13(9-12)17(3)4/h5-6,9,16H,7-8,10H2,1-4H3.
What are the key properties of CID 68965144?
CID 68965144 has a molecular weight of 269.87 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68965144 is sourced from PubChem (CID 68965144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).