CID 10962980

C30H36Si — CID 10962980

IUPAC—
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1[C]1[CH][CH][C]([Si](C)(C)[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1
InChIInChI=1S/C30H36Si/c1-20(2)24-17-14-21(3)18-29(24)22-15-16-23(19-22)31(4,5)30-27-12-8-6-10-25(27)26-11-7-9-13-28(26)30/h6-13,15-16,19-21,24,29H,14,17-18H2,1-5H3/t21-,24+,29+/m1/s1
InChIKeyNOSTVMKQCDNAPP-JICQUXPRSA-N
MW424.70 g/mol
LogP7.40
Rot. Bonds4

About CID 10962980

CID 10962980 (PubChem CID 10962980) has the molecular formula C30H36Si and a molecular weight of 424.70 g/mol.

Molecular Properties

Compound NameCID 10962980
PubChem CID10962980
Molecular FormulaC30H36Si
Molecular Weight424.70 g/mol
Exact Mass424.26
IUPAC Name—
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1[C]1[CH][CH][C]([Si](C)(C)[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1
InChIInChI=1S/C30H36Si/c1-20(2)24-17-14-21(3)18-29(24)22-15-16-23(19-22)31(4,5)30-27-12-8-6-10-25(27)26-11-7-9-13-28(26)30/h6-13,15-16,19-21,24,29H,14,17-18H2,1-5H3/t21-,24+,29+/m1/s1
InChIKeyNOSTVMKQCDNAPP-JICQUXPRSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 57.40
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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Frequently Asked Questions

What is the IUPAC name of CID 10962980?
The IUPAC name of CID 10962980 (CID 10962980) is not available.
What is the SMILES notation for CID 10962980?
The canonical SMILES for CID 10962980 is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[C]1[CH][CH][C]([Si](C)(C)[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1.
What is the InChIKey of CID 10962980?
The InChIKey is NOSTVMKQCDNAPP-JICQUXPRSA-N. The full InChI is InChI=1S/C30H36Si/c1-20(2)24-17-14-21(3)18-29(24)22-15-16-23(19-22)31(4,5)30-27-12-8-6-10-25(27)26-11-7-9-13-28(26)30/h6-13,15-16,19-21,24,29H,14,17-18H2,1-5H3/t21-,24+,29+/m1/s1.
What are the key properties of CID 10962980?
CID 10962980 has a molecular weight of 424.70 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10962980 is sourced from PubChem (CID 10962980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).