CID 15964822

C28H39Si — CID 15964822

IUPAC—
SMILESCC(C)(C)[Si]1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C28H39Si/c1-28(2,3)29-26-20-12-8-18(9-13-20)24(26)22-16-4-5-17(7-6-16)23(22)25-19-10-14-21(15-11-19)27(25)29/h16-21H,4-15H2,1-3H3
InChIKeyHNLYTFVAYLMGET-UHFFFAOYSA-N
MW403.71 g/mol
LogP7.72
Rot. Bonds

About CID 15964822

CID 15964822 (PubChem CID 15964822) has the molecular formula C28H39Si and a molecular weight of 403.71 g/mol.

Molecular Properties

Compound NameCID 15964822
PubChem CID15964822
Molecular FormulaC28H39Si
Molecular Weight403.71 g/mol
Exact Mass403.28
IUPAC Name—
SMILESCC(C)(C)[Si]1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C28H39Si/c1-28(2,3)29-26-20-12-8-18(9-13-20)24(26)22-16-4-5-17(7-6-16)23(22)25-19-10-14-21(15-11-19)27(25)29/h16-21H,4-15H2,1-3H3
InChIKeyHNLYTFVAYLMGET-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.71
LogP ≤ 57.72
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 15964822?
The IUPAC name of CID 15964822 (CID 15964822) is not available.
What is the SMILES notation for CID 15964822?
The canonical SMILES for CID 15964822 is CC(C)(C)[Si]1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of CID 15964822?
The InChIKey is HNLYTFVAYLMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39Si/c1-28(2,3)29-26-20-12-8-18(9-13-20)24(26)22-16-4-5-17(7-6-16)23(22)25-19-10-14-21(15-11-19)27(25)29/h16-21H,4-15H2,1-3H3.
What are the key properties of CID 15964822?
CID 15964822 has a molecular weight of 403.71 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15964822 is sourced from PubChem (CID 15964822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).