CID 173495309

C13H27B — CID 173495309

IUPAC—
SMILES[B][C@@](C)(CC)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C13H27B/c1-8-11(3,4)10-12(5,6)13(7,14)9-2/h8-10H2,1-7H3/t13-/m0/s1
InChIKeyRKOZSMUDIUZGIZ-ZDUSSCGKSA-N
MW194.17 g/mol
LogP4.60
Rot. Bonds5

About CID 173495309

CID 173495309 (PubChem CID 173495309) has the molecular formula C13H27B and a molecular weight of 194.17 g/mol.

Molecular Properties

Compound NameCID 173495309
PubChem CID173495309
Molecular FormulaC13H27B
Molecular Weight194.17 g/mol
Exact Mass194.22
IUPAC Name—
SMILES[B][C@@](C)(CC)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C13H27B/c1-8-11(3,4)10-12(5,6)13(7,14)9-2/h8-10H2,1-7H3/t13-/m0/s1
InChIKeyRKOZSMUDIUZGIZ-ZDUSSCGKSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 54.60
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 173495309?
The IUPAC name of CID 173495309 (CID 173495309) is not available.
What is the SMILES notation for CID 173495309?
The canonical SMILES for CID 173495309 is [B][C@@](C)(CC)C(C)(C)CC(C)(C)CC.
What is the InChIKey of CID 173495309?
The InChIKey is RKOZSMUDIUZGIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27B/c1-8-11(3,4)10-12(5,6)13(7,14)9-2/h8-10H2,1-7H3/t13-/m0/s1.
What are the key properties of CID 173495309?
CID 173495309 has a molecular weight of 194.17 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173495309 is sourced from PubChem (CID 173495309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).