CID 10450064

C24H42B — CID 10450064

IUPAC—
SMILESCC(C)[C@H]1[C@H]([B][C@@H]2C[C@@H]3C[C@H]([C@H]2C(C)C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C24H42B/c1-13(2)21-17-9-15(23(17,5)6)11-19(21)25-20-12-16-10-18(24(16,7)8)22(20)14(3)4/h13-22H,9-12H2,1-8H3/t15-,16-,17+,18+,19+,20+,21+,22+/m0/s1
InChIKeyVHWKUCOZQQJDJC-PHNATIPLSA-N
MW341.41 g/mol
LogP6.94
Rot. Bonds4

About CID 10450064

CID 10450064 (PubChem CID 10450064) has the molecular formula C24H42B and a molecular weight of 341.41 g/mol.

Molecular Properties

Compound NameCID 10450064
PubChem CID10450064
Molecular FormulaC24H42B
Molecular Weight341.41 g/mol
Exact Mass341.34
IUPAC Name—
SMILESCC(C)[C@H]1[C@H]([B][C@@H]2C[C@@H]3C[C@H]([C@H]2C(C)C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C24H42B/c1-13(2)21-17-9-15(23(17,5)6)11-19(21)25-20-12-16-10-18(24(16,7)8)22(20)14(3)4/h13-22H,9-12H2,1-8H3/t15-,16-,17+,18+,19+,20+,21+,22+/m0/s1
InChIKeyVHWKUCOZQQJDJC-PHNATIPLSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.94
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 10450064?
The IUPAC name of CID 10450064 (CID 10450064) is not available.
What is the SMILES notation for CID 10450064?
The canonical SMILES for CID 10450064 is CC(C)[C@H]1[C@H]([B][C@@H]2C[C@@H]3C[C@H]([C@H]2C(C)C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of CID 10450064?
The InChIKey is VHWKUCOZQQJDJC-PHNATIPLSA-N. The full InChI is InChI=1S/C24H42B/c1-13(2)21-17-9-15(23(17,5)6)11-19(21)25-20-12-16-10-18(24(16,7)8)22(20)14(3)4/h13-22H,9-12H2,1-8H3/t15-,16-,17+,18+,19+,20+,21+,22+/m0/s1.
What are the key properties of CID 10450064?
CID 10450064 has a molecular weight of 341.41 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10450064 is sourced from PubChem (CID 10450064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).