CID 153385207

C23H45B — CID 153385207

IUPAC—
SMILESC=C(C)C1CCC(C)CC1.CC.CC.[B]C(=C)C1CCC(C)CC1
InChIInChI=1S/C10H18.C9H15B.2C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7-3-5-9(6-4-7)8(2)10;2*1-2/h9-10H,1,4-7H2,2-3H3;7,9H,2-6H2,1H3;2*1-2H3
InChIKeyNNGRPIWTFLCHSH-UHFFFAOYSA-N
MW332.43 g/mol
LogP7.94
Rot. Bonds2

About CID 153385207

CID 153385207 (PubChem CID 153385207) has the molecular formula C23H45B and a molecular weight of 332.43 g/mol.

Molecular Properties

Compound NameCID 153385207
PubChem CID153385207
Molecular FormulaC23H45B
Molecular Weight332.43 g/mol
Exact Mass332.36
IUPAC Name—
SMILESC=C(C)C1CCC(C)CC1.CC.CC.[B]C(=C)C1CCC(C)CC1
InChIInChI=1S/C10H18.C9H15B.2C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7-3-5-9(6-4-7)8(2)10;2*1-2/h9-10H,1,4-7H2,2-3H3;7,9H,2-6H2,1H3;2*1-2H3
InChIKeyNNGRPIWTFLCHSH-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153385207?
The IUPAC name of CID 153385207 (CID 153385207) is not available.
What is the SMILES notation for CID 153385207?
The canonical SMILES for CID 153385207 is C=C(C)C1CCC(C)CC1.CC.CC.[B]C(=C)C1CCC(C)CC1.
What is the InChIKey of CID 153385207?
The InChIKey is NNGRPIWTFLCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C9H15B.2C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7-3-5-9(6-4-7)8(2)10;2*1-2/h9-10H,1,4-7H2,2-3H3;7,9H,2-6H2,1H3;2*1-2H3.
What are the key properties of CID 153385207?
CID 153385207 has a molecular weight of 332.43 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153385207 is sourced from PubChem (CID 153385207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).