CID 174076761

C14H28B — CID 174076761

IUPAC—
SMILESC[B]C1CCC(CC)(CCC(C)C)CC1
InChIInChI=1S/C14H28B/c1-5-14(9-6-12(2)3)10-7-13(15-4)8-11-14/h12-13H,5-11H2,1-4H3
InChIKeyLRCFSHGUPRPFFI-UHFFFAOYSA-N
MW207.19 g/mol
LogP4.93
Rot. Bonds5

About CID 174076761

CID 174076761 (PubChem CID 174076761) has the molecular formula C14H28B and a molecular weight of 207.19 g/mol.

Molecular Properties

Compound NameCID 174076761
PubChem CID174076761
Molecular FormulaC14H28B
Molecular Weight207.19 g/mol
Exact Mass207.23
IUPAC Name—
SMILESC[B]C1CCC(CC)(CCC(C)C)CC1
InChIInChI=1S/C14H28B/c1-5-14(9-6-12(2)3)10-7-13(15-4)8-11-14/h12-13H,5-11H2,1-4H3
InChIKeyLRCFSHGUPRPFFI-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 54.93
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 174076761?
The IUPAC name of CID 174076761 (CID 174076761) is not available.
What is the SMILES notation for CID 174076761?
The canonical SMILES for CID 174076761 is C[B]C1CCC(CC)(CCC(C)C)CC1.
What is the InChIKey of CID 174076761?
The InChIKey is LRCFSHGUPRPFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28B/c1-5-14(9-6-12(2)3)10-7-13(15-4)8-11-14/h12-13H,5-11H2,1-4H3.
What are the key properties of CID 174076761?
CID 174076761 has a molecular weight of 207.19 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174076761 is sourced from PubChem (CID 174076761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).