CID 157277192

C11H28BO — CID 157277192

IUPAC—
SMILESC.CCCOCCC.CC[B]CC
InChIInChI=1S/C6H14O.C4H10B.CH4/c1-3-5-7-6-4-2;1-3-5-4-2;/h3-6H2,1-2H3;3-4H2,1-2H3;1H4
InChIKeyYULDEIADPUFSEF-UHFFFAOYSA-N
MW187.16 g/mol
LogP4.03
Rot. Bonds6

About CID 157277192

CID 157277192 (PubChem CID 157277192) has the molecular formula C11H28BO and a molecular weight of 187.16 g/mol.

Molecular Properties

Compound NameCID 157277192
PubChem CID157277192
Molecular FormulaC11H28BO
Molecular Weight187.16 g/mol
Exact Mass187.22
IUPAC Name—
SMILESC.CCCOCCC.CC[B]CC
InChIInChI=1S/C6H14O.C4H10B.CH4/c1-3-5-7-6-4-2;1-3-5-4-2;/h3-6H2,1-2H3;3-4H2,1-2H3;1H4
InChIKeyYULDEIADPUFSEF-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 54.03
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 157277192?
The IUPAC name of CID 157277192 (CID 157277192) is not available.
What is the SMILES notation for CID 157277192?
The canonical SMILES for CID 157277192 is C.CCCOCCC.CC[B]CC.
What is the InChIKey of CID 157277192?
The InChIKey is YULDEIADPUFSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H10B.CH4/c1-3-5-7-6-4-2;1-3-5-4-2;/h3-6H2,1-2H3;3-4H2,1-2H3;1H4.
What are the key properties of CID 157277192?
CID 157277192 has a molecular weight of 187.16 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157277192 is sourced from PubChem (CID 157277192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).