CID 173133427

C16H25Se — CID 173133427

IUPAC—
SMILESCCCCCCCCCCc1ccccc1[Se]
InChIInChI=1S/C16H25Se/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14H,2-9,12H2,1H3
InChIKeyBPWUPXPENAJFFB-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.16
Rot. Bonds9

About CID 173133427

CID 173133427 (PubChem CID 173133427) has the molecular formula C16H25Se and a molecular weight of 296.34 g/mol.

Molecular Properties

Compound NameCID 173133427
PubChem CID173133427
Molecular FormulaC16H25Se
Molecular Weight296.34 g/mol
Exact Mass297.11
IUPAC Name—
SMILESCCCCCCCCCCc1ccccc1[Se]
InChIInChI=1S/C16H25Se/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14H,2-9,12H2,1H3
InChIKeyBPWUPXPENAJFFB-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173133427 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

CID 173133116
CID 173133116
CID 173132710
CID 173132710
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
1-ethyl-2-henicosylbenzene
CID 141174443
dihydroxy(oxo)phosphanium;1,2-dioctylbenzene
CID 67709665
1,2-didecylbenzene;phosphonous acid
CID 70526437
2-dodecylphenol
CID 160834917

Frequently Asked Questions

What is the IUPAC name of CID 173133427?
The IUPAC name of CID 173133427 (CID 173133427) is not available.
What is the SMILES notation for CID 173133427?
The canonical SMILES for CID 173133427 is CCCCCCCCCCc1ccccc1[Se].
What is the InChIKey of CID 173133427?
The InChIKey is BPWUPXPENAJFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Se/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of CID 173133427?
CID 173133427 has a molecular weight of 296.34 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173133427 is sourced from PubChem (CID 173133427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).