CID 70875567

C25H40B — CID 70875567

IUPAC—
SMILESC[B]C1CCCC(C2CC3C4=C(CCCC4)CCC3C3CCCCC23)C1
InChIInChI=1S/C25H40B/c1-26-19-9-6-8-18(15-19)24-16-25-20-10-3-2-7-17(20)13-14-23(25)21-11-4-5-12-22(21)24/h18-19,21-25H,2-16H2,1H3
InChIKeyBNLQQEFZBLGTDS-UHFFFAOYSA-N
MW351.41 g/mol
LogP7.44
Rot. Bonds2

About CID 70875567

CID 70875567 (PubChem CID 70875567) has the molecular formula C25H40B and a molecular weight of 351.41 g/mol.

Molecular Properties

Compound NameCID 70875567
PubChem CID70875567
Molecular FormulaC25H40B
Molecular Weight351.41 g/mol
Exact Mass351.32
IUPAC Name—
SMILESC[B]C1CCCC(C2CC3C4=C(CCCC4)CCC3C3CCCCC23)C1
InChIInChI=1S/C25H40B/c1-26-19-9-6-8-18(15-19)24-16-25-20-10-3-2-7-17(20)13-14-23(25)21-11-4-5-12-22(21)24/h18-19,21-25H,2-16H2,1H3
InChIKeyBNLQQEFZBLGTDS-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 57.44
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 70875567?
The IUPAC name of CID 70875567 (CID 70875567) is not available.
What is the SMILES notation for CID 70875567?
The canonical SMILES for CID 70875567 is C[B]C1CCCC(C2CC3C4=C(CCCC4)CCC3C3CCCCC23)C1.
What is the InChIKey of CID 70875567?
The InChIKey is BNLQQEFZBLGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40B/c1-26-19-9-6-8-18(15-19)24-16-25-20-10-3-2-7-17(20)13-14-23(25)21-11-4-5-12-22(21)24/h18-19,21-25H,2-16H2,1H3.
What are the key properties of CID 70875567?
CID 70875567 has a molecular weight of 351.41 g/mol, XLogP of 7.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70875567 is sourced from PubChem (CID 70875567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).