CID 20709123

C14H29B — CID 20709123

IUPAC—
SMILES[B]C(C)(C)C(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H29B/c1-12(2,3)9-11(14(7,8)15)10-13(4,5)6/h11H,9-10H2,1-8H3
InChIKeyZWFOQDPSQOCXLP-UHFFFAOYSA-N
MW208.20 g/mol
LogP4.84
Rot. Bonds3

About CID 20709123

CID 20709123 (PubChem CID 20709123) has the molecular formula C14H29B and a molecular weight of 208.20 g/mol.

Molecular Properties

Compound NameCID 20709123
PubChem CID20709123
Molecular FormulaC14H29B
Molecular Weight208.20 g/mol
Exact Mass208.24
IUPAC Name—
SMILES[B]C(C)(C)C(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H29B/c1-12(2,3)9-11(14(7,8)15)10-13(4,5)6/h11H,9-10H2,1-8H3
InChIKeyZWFOQDPSQOCXLP-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20709123?
The IUPAC name of CID 20709123 (CID 20709123) is not available.
What is the SMILES notation for CID 20709123?
The canonical SMILES for CID 20709123 is [B]C(C)(C)C(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of CID 20709123?
The InChIKey is ZWFOQDPSQOCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29B/c1-12(2,3)9-11(14(7,8)15)10-13(4,5)6/h11H,9-10H2,1-8H3.
What are the key properties of CID 20709123?
CID 20709123 has a molecular weight of 208.20 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20709123 is sourced from PubChem (CID 20709123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).