CID 174029125

C17H28B — CID 174029125

IUPAC—
SMILESC[B]c1cc(C(C)C)c(C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C17H28B/c1-11(2)14-9-13(18-8)10-15(12(3)4)16(14)17(5,6)7/h9-12H,1-8H3
InChIKeyHTIKUEAHYRXGEF-UHFFFAOYSA-N
MW243.22 g/mol
LogP4.61
Rot. Bonds3

About CID 174029125

CID 174029125 (PubChem CID 174029125) has the molecular formula C17H28B and a molecular weight of 243.22 g/mol.

Molecular Properties

Compound NameCID 174029125
PubChem CID174029125
Molecular FormulaC17H28B
Molecular Weight243.22 g/mol
Exact Mass243.23
IUPAC Name—
SMILESC[B]c1cc(C(C)C)c(C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C17H28B/c1-11(2)14-9-13(18-8)10-15(12(3)4)16(14)17(5,6)7/h9-12H,1-8H3
InChIKeyHTIKUEAHYRXGEF-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 54569944
2-tert-butyl-1,3-bis[(1R)-1-(3,5-ditert-butylphenyl)ethyl]-5-methylbenzene
CID 155642965
4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine
CID 146618056
2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
CID 159108769
CID 174031150
CID 174031150
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5-tert-butyl-2-methyl-3-propan-2-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of CID 174029125?
The IUPAC name of CID 174029125 (CID 174029125) is not available.
What is the SMILES notation for CID 174029125?
The canonical SMILES for CID 174029125 is C[B]c1cc(C(C)C)c(C(C)(C)C)c(C(C)C)c1.
What is the InChIKey of CID 174029125?
The InChIKey is HTIKUEAHYRXGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28B/c1-11(2)14-9-13(18-8)10-15(12(3)4)16(14)17(5,6)7/h9-12H,1-8H3.
What are the key properties of CID 174029125?
CID 174029125 has a molecular weight of 243.22 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174029125 is sourced from PubChem (CID 174029125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).