CID 162266797

C28H64B4 — CID 162266797

IUPAC—
SMILESC.C.C.C.C=C(C)C1C(C(=C)C)C(C(=C)C)C1C(=C)C.CC.CC.CC.CC.[B].[B].[B].[B]
InChIInChI=1S/C16H24.4C2H6.4CH4.4B/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6;4*1-2;;;;;;;;/h13-16H,1,3,5,7H2,2,4,6,8H3;4*1-2H3;4*1H4;;;;
InChIKeyUZYIOJHFGAWASK-UHFFFAOYSA-N
MW444.07 g/mol
LogP9.90
Rot. Bonds4

About CID 162266797

CID 162266797 (PubChem CID 162266797) has the molecular formula C28H64B4 and a molecular weight of 444.07 g/mol.

Molecular Properties

Compound NameCID 162266797
PubChem CID162266797
Molecular FormulaC28H64B4
Molecular Weight444.07 g/mol
Exact Mass444.54
IUPAC Name—
SMILESC.C.C.C.C=C(C)C1C(C(=C)C)C(C(=C)C)C1C(=C)C.CC.CC.CC.CC.[B].[B].[B].[B]
InChIInChI=1S/C16H24.4C2H6.4CH4.4B/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6;4*1-2;;;;;;;;/h13-16H,1,3,5,7H2,2,4,6,8H3;4*1-2H3;4*1H4;;;;
InChIKeyUZYIOJHFGAWASK-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.07
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 162266797 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

2-prop-1-en-2-ylbicyclo[1.1.0]butane
CID 91290085
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 91552917
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
(2S,3R)-2-methyl-3-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 142078311
2-methyl-5-prop-1-en-2-ylbicyclo[2.1.0]pentane
CID 123505655
ethane;2-prop-1-en-2-yl-1,3-dithiolane
CID 154644686
1-(3-prop-1-en-2-yl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
CID 147588921
2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane
CID 67459259
1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane
CID 123941288
methane;bis(2-methylbut-1-ene)
CID 160529780

Frequently Asked Questions

What is the IUPAC name of CID 162266797?
The IUPAC name of CID 162266797 (CID 162266797) is not available.
What is the SMILES notation for CID 162266797?
The canonical SMILES for CID 162266797 is C.C.C.C.C=C(C)C1C(C(=C)C)C(C(=C)C)C1C(=C)C.CC.CC.CC.CC.[B].[B].[B].[B].
What is the InChIKey of CID 162266797?
The InChIKey is UZYIOJHFGAWASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.4C2H6.4CH4.4B/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6;4*1-2;;;;;;;;/h13-16H,1,3,5,7H2,2,4,6,8H3;4*1-2H3;4*1H4;;;;.
What are the key properties of CID 162266797?
CID 162266797 has a molecular weight of 444.07 g/mol, XLogP of 9.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162266797 is sourced from PubChem (CID 162266797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).