CID 174136543

C14H21B — CID 174136543

IUPAC—
SMILES[B]c1c(C(C)(C)CCC)ccc(C)c1C
InChIInChI=1S/C14H21B/c1-6-9-14(4,5)12-8-7-10(2)11(3)13(12)15/h7-8H,6,9H2,1-5H3
InChIKeySMXICTPBAKAUPE-UHFFFAOYSA-N
MW200.13 g/mol
LogP3.17
Rot. Bonds3

About CID 174136543

CID 174136543 (PubChem CID 174136543) has the molecular formula C14H21B and a molecular weight of 200.13 g/mol.

Molecular Properties

Compound NameCID 174136543
PubChem CID174136543
Molecular FormulaC14H21B
Molecular Weight200.13 g/mol
Exact Mass200.17
IUPAC Name—
SMILES[B]c1c(C(C)(C)CCC)ccc(C)c1C
InChIInChI=1S/C14H21B/c1-6-9-14(4,5)12-8-7-10(2)11(3)13(12)15/h7-8H,6,9H2,1-5H3
InChIKeySMXICTPBAKAUPE-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 53.17
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 174136543?
The IUPAC name of CID 174136543 (CID 174136543) is not available.
What is the SMILES notation for CID 174136543?
The canonical SMILES for CID 174136543 is [B]c1c(C(C)(C)CCC)ccc(C)c1C.
What is the InChIKey of CID 174136543?
The InChIKey is SMXICTPBAKAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21B/c1-6-9-14(4,5)12-8-7-10(2)11(3)13(12)15/h7-8H,6,9H2,1-5H3.
What are the key properties of CID 174136543?
CID 174136543 has a molecular weight of 200.13 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174136543 is sourced from PubChem (CID 174136543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).