CID 160839086

C10H21B — CID 160839086

IUPAC—
SMILES[B]C(C)CCC(CC)CCC
InChIInChI=1S/C10H21B/c1-4-6-10(5-2)8-7-9(3)11/h9-10H,4-8H2,1-3H3
InChIKeyAFHMRKOEHJNECD-UHFFFAOYSA-N
MW152.09 g/mol
LogP3.57
Rot. Bonds6

About CID 160839086

CID 160839086 (PubChem CID 160839086) has the molecular formula C10H21B and a molecular weight of 152.09 g/mol.

Molecular Properties

Compound NameCID 160839086
PubChem CID160839086
Molecular FormulaC10H21B
Molecular Weight152.09 g/mol
Exact Mass152.17
IUPAC Name—
SMILES[B]C(C)CCC(CC)CCC
InChIInChI=1S/C10H21B/c1-4-6-10(5-2)8-7-9(3)11/h9-10H,4-8H2,1-3H3
InChIKeyAFHMRKOEHJNECD-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 53.57
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-ethylheptane;methane
CID 143165373
6-ethyl-3-methylnonane;methane
CID 142358245
5-ethyloctan-2-ol
CID 20725141
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
4,8-diethyl-5-methylundecane
CID 59928875
tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637381
3,6-diethylnonan-2-amine
CID 123222168
4-ethyl-1-fluoroheptane
CID 174734694
5-ethylnonane;5-propylnonane
CID 157441807
4-ethylheptane;3-methylheptane
CID 143099611
10-ethyl-2-methyltridecane
CID 173195663
8-(3-ethylhexyl)hexadecane
CID 123944120

Frequently Asked Questions

What is the IUPAC name of CID 160839086?
The IUPAC name of CID 160839086 (CID 160839086) is not available.
What is the SMILES notation for CID 160839086?
The canonical SMILES for CID 160839086 is [B]C(C)CCC(CC)CCC.
What is the InChIKey of CID 160839086?
The InChIKey is AFHMRKOEHJNECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21B/c1-4-6-10(5-2)8-7-9(3)11/h9-10H,4-8H2,1-3H3.
What are the key properties of CID 160839086?
CID 160839086 has a molecular weight of 152.09 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160839086 is sourced from PubChem (CID 160839086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).