CID 174061588

C16H29B — CID 174061588

IUPAC—
SMILES[B]C1(C(C)(C)C)C(CC)CC2CC(C)CC1C2
InChIInChI=1S/C16H29B/c1-6-13-9-12-7-11(2)8-14(10-12)16(13,17)15(3,4)5/h11-14H,6-10H2,1-5H3
InChIKeyJJHQBRWETBRNRQ-UHFFFAOYSA-N
MW232.22 g/mol
LogP4.84
Rot. Bonds1

About CID 174061588

CID 174061588 (PubChem CID 174061588) has the molecular formula C16H29B and a molecular weight of 232.22 g/mol.

Molecular Properties

Compound NameCID 174061588
PubChem CID174061588
Molecular FormulaC16H29B
Molecular Weight232.22 g/mol
Exact Mass232.24
IUPAC Name—
SMILES[B]C1(C(C)(C)C)C(CC)CC2CC(C)CC1C2
InChIInChI=1S/C16H29B/c1-6-13-9-12-7-11(2)8-14(10-12)16(13,17)15(3,4)5/h11-14H,6-10H2,1-5H3
InChIKeyJJHQBRWETBRNRQ-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 54.84
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 174061588?
The IUPAC name of CID 174061588 (CID 174061588) is not available.
What is the SMILES notation for CID 174061588?
The canonical SMILES for CID 174061588 is [B]C1(C(C)(C)C)C(CC)CC2CC(C)CC1C2.
What is the InChIKey of CID 174061588?
The InChIKey is JJHQBRWETBRNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29B/c1-6-13-9-12-7-11(2)8-14(10-12)16(13,17)15(3,4)5/h11-14H,6-10H2,1-5H3.
What are the key properties of CID 174061588?
CID 174061588 has a molecular weight of 232.22 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174061588 is sourced from PubChem (CID 174061588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).