CID 174029877

C14H19B — CID 174029877

IUPAC—
SMILES[B]C1(c2ccccc2)CCC(C)(C)CC1
InChIInChI=1S/C14H19B/c1-13(2)8-10-14(15,11-9-13)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyFJPGPCYXNZRLCP-UHFFFAOYSA-N
MW198.12 g/mol
LogP3.65
Rot. Bonds1

About CID 174029877

CID 174029877 (PubChem CID 174029877) has the molecular formula C14H19B and a molecular weight of 198.12 g/mol.

Molecular Properties

Compound NameCID 174029877
PubChem CID174029877
Molecular FormulaC14H19B
Molecular Weight198.12 g/mol
Exact Mass198.16
IUPAC Name—
SMILES[B]C1(c2ccccc2)CCC(C)(C)CC1
InChIInChI=1S/C14H19B/c1-13(2)8-10-14(15,11-9-13)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyFJPGPCYXNZRLCP-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 53.65
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 174029877?
The IUPAC name of CID 174029877 (CID 174029877) is not available.
What is the SMILES notation for CID 174029877?
The canonical SMILES for CID 174029877 is [B]C1(c2ccccc2)CCC(C)(C)CC1.
What is the InChIKey of CID 174029877?
The InChIKey is FJPGPCYXNZRLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19B/c1-13(2)8-10-14(15,11-9-13)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of CID 174029877?
CID 174029877 has a molecular weight of 198.12 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174029877 is sourced from PubChem (CID 174029877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).