CID 14660486

C8H17BO — CID 14660486

IUPAC—
SMILESC1CCOC1.[B]CCCC
InChIInChI=1S/C4H9B.C4H8O/c1-2-3-4-5;1-2-4-5-3-1/h2-4H2,1H3;1-4H2
InChIKeyZOUMCMKFQSENGJ-UHFFFAOYSA-N
MW140.03 g/mol
LogP2.17
Rot. Bonds2

About CID 14660486

CID 14660486 (PubChem CID 14660486) has the molecular formula C8H17BO and a molecular weight of 140.03 g/mol.

Molecular Properties

Compound NameCID 14660486
PubChem CID14660486
Molecular FormulaC8H17BO
Molecular Weight140.03 g/mol
Exact Mass140.14
IUPAC Name—
SMILESC1CCOC1.[B]CCCC
InChIInChI=1S/C4H9B.C4H8O/c1-2-3-4-5;1-2-4-5-3-1/h2-4H2,1H3;1-4H2
InChIKeyZOUMCMKFQSENGJ-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.03
LogP ≤ 52.17
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

1-n-Butoxyboracyclopentane
CID 129803664
Triethyl(2-tetra-hydrofuryl)germane
CID 13523198
Diethoxy(oxolan-3-yl)borane
CID 13585639
Boronic acid, ((3R)-tetrahydro-3-furanyl)-, diethyl ester
CID 13585640
diethoxy-[(3S)-oxolan-3-yl]borane
CID 13585641
Di-n-propyl-(2-n-butoxyethyl)boron
CID 129802082
Di-n-propyl-(2-ethoxyethyl)-boron
CID 129802086
CID 135048591
CID 135048591
Triethylborane tetrahydrofuran
CID 12979806
CID 14660484
CID 14660484
CID 14660487
CID 14660487
1-Butoxybutane;oxolane
CID 18424802

Frequently Asked Questions

What is the IUPAC name of CID 14660486?
The IUPAC name of CID 14660486 (CID 14660486) is not available.
What is the SMILES notation for CID 14660486?
The canonical SMILES for CID 14660486 is C1CCOC1.[B]CCCC.
What is the InChIKey of CID 14660486?
The InChIKey is ZOUMCMKFQSENGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9B.C4H8O/c1-2-3-4-5;1-2-4-5-3-1/h2-4H2,1H3;1-4H2.
What are the key properties of CID 14660486?
CID 14660486 has a molecular weight of 140.03 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14660486 is sourced from PubChem (CID 14660486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).