CID 91200950

C10H14B — CID 91200950

IUPAC—
SMILESC#CC(C)C[B]CC(C)C#C
InChIInChI=1S/C10H14B/c1-5-9(3)7-11-8-10(4)6-2/h1-2,9-10H,7-8H2,3-4H3
InChIKeyXSISDCMUWUGUCS-UHFFFAOYSA-N
MW145.03 g/mol
LogP2.07
Rot. Bonds4

About CID 91200950

CID 91200950 (PubChem CID 91200950) has the molecular formula C10H14B and a molecular weight of 145.03 g/mol.

Molecular Properties

Compound NameCID 91200950
PubChem CID91200950
Molecular FormulaC10H14B
Molecular Weight145.03 g/mol
Exact Mass145.12
IUPAC Name—
SMILESC#CC(C)C[B]CC(C)C#C
InChIInChI=1S/C10H14B/c1-5-9(3)7-11-8-10(4)6-2/h1-2,9-10H,7-8H2,3-4H3
InChIKeyXSISDCMUWUGUCS-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.03
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91200950?
The IUPAC name of CID 91200950 (CID 91200950) is not available.
What is the SMILES notation for CID 91200950?
The canonical SMILES for CID 91200950 is C#CC(C)C[B]CC(C)C#C.
What is the InChIKey of CID 91200950?
The InChIKey is XSISDCMUWUGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14B/c1-5-9(3)7-11-8-10(4)6-2/h1-2,9-10H,7-8H2,3-4H3.
What are the key properties of CID 91200950?
CID 91200950 has a molecular weight of 145.03 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91200950 is sourced from PubChem (CID 91200950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).