CID 159135735

C8H22BO — CID 159135735

IUPAC—
SMILESC.C.C[B]CCOCCC
InChIInChI=1S/C6H14BO.2CH4/c1-3-5-8-6-4-7-2;;/h3-6H2,1-2H3;2*1H4
InChIKeyBVHQNOMDOUXPQJ-UHFFFAOYSA-N
MW145.08 g/mol
LogP2.86
Rot. Bonds5

About CID 159135735

CID 159135735 (PubChem CID 159135735) has the molecular formula C8H22BO and a molecular weight of 145.08 g/mol.

Molecular Properties

Compound NameCID 159135735
PubChem CID159135735
Molecular FormulaC8H22BO
Molecular Weight145.08 g/mol
Exact Mass145.18
IUPAC Name—
SMILESC.C.C[B]CCOCCC
InChIInChI=1S/C6H14BO.2CH4/c1-3-5-8-6-4-7-2;;/h3-6H2,1-2H3;2*1H4
InChIKeyBVHQNOMDOUXPQJ-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.08
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Butyl ether
CID 8909
4-Tert-butyl-1,4-oxaborinane
CID 85573152
Bis-deutero-dibutylether
CID 129648735
Di-n-propyl-(2-n-butoxyethyl)boron
CID 129802082
Di-n-propyl-(2-ethoxyethyl)-boron
CID 129802086
Dibutyl 2-butoxyethaneboronate
CID 129807534
Ethyl (2-ethoxyethyl)ethylborinate
CID 129807570
Butyl (2-butoxyethyl)ethylborinate
CID 129807705
Potassium butoxymethyl(trimethyl)boranuide
CID 177850391
Ethyl dipropylborinate
CID 12507438
Dibutylborinic acid ethyl ester
CID 12507439
Propoxy(dipropyl)borane
CID 12507440

Frequently Asked Questions

What is the IUPAC name of CID 159135735?
The IUPAC name of CID 159135735 (CID 159135735) is not available.
What is the SMILES notation for CID 159135735?
The canonical SMILES for CID 159135735 is C.C.C[B]CCOCCC.
What is the InChIKey of CID 159135735?
The InChIKey is BVHQNOMDOUXPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BO.2CH4/c1-3-5-8-6-4-7-2;;/h3-6H2,1-2H3;2*1H4.
What are the key properties of CID 159135735?
CID 159135735 has a molecular weight of 145.08 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159135735 is sourced from PubChem (CID 159135735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).