CID 123186156

C6H13BO — CID 123186156

IUPAC—
SMILES[B]CC(C)OCCC
InChIInChI=1S/C6H13BO/c1-3-4-8-6(2)5-7/h6H,3-5H2,1-2H3
InChIKeyFELKXZXWJGTLFX-UHFFFAOYSA-N
MW111.98 g/mol
LogP1.39
Rot. Bonds4

About CID 123186156

CID 123186156 (PubChem CID 123186156) has the molecular formula C6H13BO and a molecular weight of 111.98 g/mol.

Molecular Properties

Compound NameCID 123186156
PubChem CID123186156
Molecular FormulaC6H13BO
Molecular Weight111.98 g/mol
Exact Mass112.11
IUPAC Name—
SMILES[B]CC(C)OCCC
InChIInChI=1S/C6H13BO/c1-3-4-8-6(2)5-7/h6H,3-5H2,1-2H3
InChIKeyFELKXZXWJGTLFX-UHFFFAOYSA-N
XLogP1.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.98
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
(2R,3R)-2,3-dipropoxybutane
CID 118445331
3-propoxy-N-(3-propoxybutyl)butan-1-amine
CID 88850441
2-propoxypropylhydrazine
CID 166866965
(4R)-4-propoxypentan-1-ol
CID 54320299
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2,5,6-trimethyl-9-propoxydecane
CID 143799470
N-methyl-4-propoxypentan-2-amine
CID 64721571
1-(2-propoxypropoxy)pentane
CID 22002926
propyl 3-propoxybutanoate
CID 175273522
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189

Frequently Asked Questions

What is the IUPAC name of CID 123186156?
The IUPAC name of CID 123186156 (CID 123186156) is not available.
What is the SMILES notation for CID 123186156?
The canonical SMILES for CID 123186156 is [B]CC(C)OCCC.
What is the InChIKey of CID 123186156?
The InChIKey is FELKXZXWJGTLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BO/c1-3-4-8-6(2)5-7/h6H,3-5H2,1-2H3.
What are the key properties of CID 123186156?
CID 123186156 has a molecular weight of 111.98 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123186156 is sourced from PubChem (CID 123186156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).