CID 20823300

C21H43B — CID 20823300

IUPAC—
SMILES[B]CC(CCC(CC)CC(C)C)C(C)CC(C)CC(C)CC
InChIInChI=1S/C21H43B/c1-8-17(5)13-18(6)14-19(7)21(15-22)11-10-20(9-2)12-16(3)4/h16-21H,8-15H2,1-7H3
InChIKeyBGFGTFJDOCDYTM-UHFFFAOYSA-N
MW306.39 g/mol
LogP7.14
Rot. Bonds13

About CID 20823300

CID 20823300 (PubChem CID 20823300) has the molecular formula C21H43B and a molecular weight of 306.39 g/mol.

Molecular Properties

Compound NameCID 20823300
PubChem CID20823300
Molecular FormulaC21H43B
Molecular Weight306.39 g/mol
Exact Mass306.35
IUPAC Name—
SMILES[B]CC(CCC(CC)CC(C)C)C(C)CC(C)CC(C)CC
InChIInChI=1S/C21H43B/c1-8-17(5)13-18(6)14-19(7)21(15-22)11-10-20(9-2)12-16(3)4/h16-21H,8-15H2,1-7H3
InChIKeyBGFGTFJDOCDYTM-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.39
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,7-dimethyloctane
CID 53423923
2,4,6,8-tetramethyldecane
CID 54224604
6-ethyl-2,3,8-trimethyldecane
CID 90730025
2,4,7,9-tetramethylundecane
CID 91346710
5-ethyl-3,6,8-trimethyldecane
CID 173141656
3,5,7,10,12-pentamethyltetradecane
CID 59582352
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
(4S)-2,4-dimethylhexane
CID 22810193
4-ethyl-2-methylheptane;methane
CID 160575103
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
7-ethyl-3,5,9-trimethyldodecane
CID 123315944
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490

Frequently Asked Questions

What is the IUPAC name of CID 20823300?
The IUPAC name of CID 20823300 (CID 20823300) is not available.
What is the SMILES notation for CID 20823300?
The canonical SMILES for CID 20823300 is [B]CC(CCC(CC)CC(C)C)C(C)CC(C)CC(C)CC.
What is the InChIKey of CID 20823300?
The InChIKey is BGFGTFJDOCDYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43B/c1-8-17(5)13-18(6)14-19(7)21(15-22)11-10-20(9-2)12-16(3)4/h16-21H,8-15H2,1-7H3.
What are the key properties of CID 20823300?
CID 20823300 has a molecular weight of 306.39 g/mol, XLogP of 7.14, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20823300 is sourced from PubChem (CID 20823300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).