CID 57412273

C11H17BP — CID 57412273

IUPAC—
SMILESCC1(P2CCCC2)C=CCC=C1.[B]
InChIInChI=1S/C11H17P.B/c1-11(7-3-2-4-8-11)12-9-5-6-10-12;/h3-4,7-8H,2,5-6,9-10H2,1H3;
InChIKeyOACKNXJFQFHDLC-UHFFFAOYSA-N
MW191.04 g/mol
LogP3.16
Rot. Bonds1

About CID 57412273

CID 57412273 (PubChem CID 57412273) has the molecular formula C11H17BP and a molecular weight of 191.04 g/mol.

Molecular Properties

Compound NameCID 57412273
PubChem CID57412273
Molecular FormulaC11H17BP
Molecular Weight191.04 g/mol
Exact Mass191.12
IUPAC Name—
SMILESCC1(P2CCCC2)C=CCC=C1.[B]
InChIInChI=1S/C11H17P.B/c1-11(7-3-2-4-8-11)12-9-5-6-10-12;/h3-4,7-8H,2,5-6,9-10H2,1H3;
InChIKeyOACKNXJFQFHDLC-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57412273?
The IUPAC name of CID 57412273 (CID 57412273) is not available.
What is the SMILES notation for CID 57412273?
The canonical SMILES for CID 57412273 is CC1(P2CCCC2)C=CCC=C1.[B].
What is the InChIKey of CID 57412273?
The InChIKey is OACKNXJFQFHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17P.B/c1-11(7-3-2-4-8-11)12-9-5-6-10-12;/h3-4,7-8H,2,5-6,9-10H2,1H3;.
What are the key properties of CID 57412273?
CID 57412273 has a molecular weight of 191.04 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57412273 is sourced from PubChem (CID 57412273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).