CID 123436450

C11H22B — CID 123436450

IUPAC—
SMILESCC(C)C(C)CCC1(C)[B]C1C
InChIInChI=1S/C11H22B/c1-8(2)9(3)6-7-11(5)10(4)12-11/h8-10H,6-7H2,1-5H3
InChIKeyUQKFVLHMYNYIHZ-UHFFFAOYSA-N
MW165.11 g/mol
LogP3.76
Rot. Bonds4

About CID 123436450

CID 123436450 (PubChem CID 123436450) has the molecular formula C11H22B and a molecular weight of 165.11 g/mol.

Molecular Properties

Compound NameCID 123436450
PubChem CID123436450
Molecular FormulaC11H22B
Molecular Weight165.11 g/mol
Exact Mass165.18
IUPAC Name—
SMILESCC(C)C(C)CCC1(C)[B]C1C
InChIInChI=1S/C11H22B/c1-8(2)9(3)6-7-11(5)10(4)12-11/h8-10H,6-7H2,1-5H3
InChIKeyUQKFVLHMYNYIHZ-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 53.76
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

1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane
CID 166459720
1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane
CID 123582188
1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane
CID 145235208
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
3,4-dimethylpentyl(trimethyl)azanium
CID 175623518
2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
CID 123868071
3,4-dimethylpentane-1-thiol
CID 87431399
(5R)-1-(3,4-dimethylpentyl)-3,5-dimethylcyclohexane
CID 144902537
1,1-difluoro-4,5-dimethylhexane
CID 137419857
2,2,3,4,4,7,8-heptamethylnonane
CID 123795211
4,5-dimethylhexan-1-amine
CID 55283993
(3R)-2,3-dimethylheptane;ethane
CID 163241846

Frequently Asked Questions

What is the IUPAC name of CID 123436450?
The IUPAC name of CID 123436450 (CID 123436450) is not available.
What is the SMILES notation for CID 123436450?
The canonical SMILES for CID 123436450 is CC(C)C(C)CCC1(C)[B]C1C.
What is the InChIKey of CID 123436450?
The InChIKey is UQKFVLHMYNYIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22B/c1-8(2)9(3)6-7-11(5)10(4)12-11/h8-10H,6-7H2,1-5H3.
What are the key properties of CID 123436450?
CID 123436450 has a molecular weight of 165.11 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123436450 is sourced from PubChem (CID 123436450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).