CID 174063087

C9H18BP — CID 174063087

IUPAC—
SMILES[B]C1(P)CCC(C(C)C)CC1
InChIInChI=1S/C9H18BP/c1-7(2)8-3-5-9(10,11)6-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyXBOWANYQKLVEMR-UHFFFAOYSA-N
MW168.03 g/mol
LogP2.57
Rot. Bonds1

About CID 174063087

CID 174063087 (PubChem CID 174063087) has the molecular formula C9H18BP and a molecular weight of 168.03 g/mol.

Molecular Properties

Compound NameCID 174063087
PubChem CID174063087
Molecular FormulaC9H18BP
Molecular Weight168.03 g/mol
Exact Mass168.12
IUPAC Name—
SMILES[B]C1(P)CCC(C(C)C)CC1
InChIInChI=1S/C9H18BP/c1-7(2)8-3-5-9(10,11)6-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyXBOWANYQKLVEMR-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 144671980
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Frequently Asked Questions

What is the IUPAC name of CID 174063087?
The IUPAC name of CID 174063087 (CID 174063087) is not available.
What is the SMILES notation for CID 174063087?
The canonical SMILES for CID 174063087 is [B]C1(P)CCC(C(C)C)CC1.
What is the InChIKey of CID 174063087?
The InChIKey is XBOWANYQKLVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BP/c1-7(2)8-3-5-9(10,11)6-4-8/h7-8H,3-6,11H2,1-2H3.
What are the key properties of CID 174063087?
CID 174063087 has a molecular weight of 168.03 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174063087 is sourced from PubChem (CID 174063087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).