CID 173482581

C13H24B — CID 173482581

IUPAC—
SMILESC=C=CC([B]CCCC)CCCCC
InChIInChI=1S/C13H24B/c1-4-7-9-11-13(10-6-3)14-12-8-5-2/h10,13H,3-5,7-9,11-12H2,1-2H3
InChIKeyVTVXKAROCMFCFL-UHFFFAOYSA-N
MW191.15 g/mol
LogP4.62
Rot. Bonds9

About CID 173482581

CID 173482581 (PubChem CID 173482581) has the molecular formula C13H24B and a molecular weight of 191.15 g/mol.

Molecular Properties

Compound NameCID 173482581
PubChem CID173482581
Molecular FormulaC13H24B
Molecular Weight191.15 g/mol
Exact Mass191.20
IUPAC Name—
SMILESC=C=CC([B]CCCC)CCCCC
InChIInChI=1S/C13H24B/c1-4-7-9-11-13(10-6-3)14-12-8-5-2/h10,13H,3-5,7-9,11-12H2,1-2H3
InChIKeyVTVXKAROCMFCFL-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173482581?
The IUPAC name of CID 173482581 (CID 173482581) is not available.
What is the SMILES notation for CID 173482581?
The canonical SMILES for CID 173482581 is C=C=CC([B]CCCC)CCCCC.
What is the InChIKey of CID 173482581?
The InChIKey is VTVXKAROCMFCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24B/c1-4-7-9-11-13(10-6-3)14-12-8-5-2/h10,13H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of CID 173482581?
CID 173482581 has a molecular weight of 191.15 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173482581 is sourced from PubChem (CID 173482581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).