CID 135048591

C14H30BO — CID 135048591

IUPAC—
SMILESCC(C)C(C)[B-](C(C)C(C)C)[O+]1CCCC1
InChIInChI=1S/C14H30BO/c1-11(2)13(5)15(14(6)12(3)4)16-9-7-8-10-16/h11-14H,7-10H2,1-6H3
InChIKeyGHVIKKOAOOEKHA-UHFFFAOYSA-N
MW225.20 g/mol
LogP4.42
Rot. Bonds5

About CID 135048591

CID 135048591 (PubChem CID 135048591) has the molecular formula C14H30BO and a molecular weight of 225.20 g/mol.

Molecular Properties

Compound NameCID 135048591
PubChem CID135048591
Molecular FormulaC14H30BO
Molecular Weight225.20 g/mol
Exact Mass225.24
IUPAC Name—
SMILESCC(C)C(C)[B-](C(C)C(C)C)[O+]1CCCC1
InChIInChI=1S/C14H30BO/c1-11(2)13(5)15(14(6)12(3)4)16-9-7-8-10-16/h11-14H,7-10H2,1-6H3
InChIKeyGHVIKKOAOOEKHA-UHFFFAOYSA-N
XLogP4.42
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135048591?
The IUPAC name of CID 135048591 (CID 135048591) is not available.
What is the SMILES notation for CID 135048591?
The canonical SMILES for CID 135048591 is CC(C)C(C)[B-](C(C)C(C)C)[O+]1CCCC1.
What is the InChIKey of CID 135048591?
The InChIKey is GHVIKKOAOOEKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30BO/c1-11(2)13(5)15(14(6)12(3)4)16-9-7-8-10-16/h11-14H,7-10H2,1-6H3.
What are the key properties of CID 135048591?
CID 135048591 has a molecular weight of 225.20 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135048591 is sourced from PubChem (CID 135048591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).