CID 174023476

C15H28B2 — CID 174023476

IUPAC—
SMILES[B]C1(C)C(C)C(C)(C)C(C)(C)C([B])(C)C1(C)C
InChIInChI=1S/C15H28B2/c1-10-11(2,3)12(4,5)15(9,17)13(6,7)14(10,8)16/h10H,1-9H3
InChIKeyNJTBPYHIYPIDDG-UHFFFAOYSA-N
MW230.01 g/mol
LogP4.41
Rot. Bonds

About CID 174023476

CID 174023476 (PubChem CID 174023476) has the molecular formula C15H28B2 and a molecular weight of 230.01 g/mol.

Molecular Properties

Compound NameCID 174023476
PubChem CID174023476
Molecular FormulaC15H28B2
Molecular Weight230.01 g/mol
Exact Mass230.24
IUPAC Name—
SMILES[B]C1(C)C(C)C(C)(C)C(C)(C)C([B])(C)C1(C)C
InChIInChI=1S/C15H28B2/c1-10-11(2,3)12(4,5)15(9,17)13(6,7)14(10,8)16/h10H,1-9H3
InChIKeyNJTBPYHIYPIDDG-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.01
LogP ≤ 54.41
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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cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
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CID 174023475
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1,1,2-trichloro-2,3-dimethylcyclopropane
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1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
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Frequently Asked Questions

What is the IUPAC name of CID 174023476?
The IUPAC name of CID 174023476 (CID 174023476) is not available.
What is the SMILES notation for CID 174023476?
The canonical SMILES for CID 174023476 is [B]C1(C)C(C)C(C)(C)C(C)(C)C([B])(C)C1(C)C.
What is the InChIKey of CID 174023476?
The InChIKey is NJTBPYHIYPIDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28B2/c1-10-11(2,3)12(4,5)15(9,17)13(6,7)14(10,8)16/h10H,1-9H3.
What are the key properties of CID 174023476?
CID 174023476 has a molecular weight of 230.01 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174023476 is sourced from PubChem (CID 174023476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).