CID 174071986

C15H27B — CID 174071986

IUPAC—
SMILES[B]C1CCC2(C)CCCCC2(CCCC)C1
InChIInChI=1S/C15H27B/c1-3-4-9-15-10-6-5-8-14(15,2)11-7-13(16)12-15/h13H,3-12H2,1-2H3
InChIKeyNLPVJSKARVRLQT-UHFFFAOYSA-N
MW218.19 g/mol
LogP4.88
Rot. Bonds3

About CID 174071986

CID 174071986 (PubChem CID 174071986) has the molecular formula C15H27B and a molecular weight of 218.19 g/mol.

Molecular Properties

Compound NameCID 174071986
PubChem CID174071986
Molecular FormulaC15H27B
Molecular Weight218.19 g/mol
Exact Mass218.22
IUPAC Name—
SMILES[B]C1CCC2(C)CCCCC2(CCCC)C1
InChIInChI=1S/C15H27B/c1-3-4-9-15-10-6-5-8-14(15,2)11-7-13(16)12-15/h13H,3-12H2,1-2H3
InChIKeyNLPVJSKARVRLQT-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 54.88
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 174071986?
The IUPAC name of CID 174071986 (CID 174071986) is not available.
What is the SMILES notation for CID 174071986?
The canonical SMILES for CID 174071986 is [B]C1CCC2(C)CCCCC2(CCCC)C1.
What is the InChIKey of CID 174071986?
The InChIKey is NLPVJSKARVRLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27B/c1-3-4-9-15-10-6-5-8-14(15,2)11-7-13(16)12-15/h13H,3-12H2,1-2H3.
What are the key properties of CID 174071986?
CID 174071986 has a molecular weight of 218.19 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174071986 is sourced from PubChem (CID 174071986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).