CID 71082782

C50H65Si — CID 71082782

IUPAC—
SMILESCC1=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2C1[Si](C)C.CC1=Cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1
InChIInChI=1S/C26H35Si.C24H30/c1-17-13-23-21(11-10-12-22(23)24(17)27(8)9)18-14-19(25(2,3)4)16-20(15-18)26(5,6)7;1-16-11-17-9-8-10-21(22(17)12-16)18-13-19(23(2,3)4)15-20(14-18)24(5,6)7/h10-16,24H,1-9H3;8-10,12-15H,11H2,1-7H3
InChIKeyKPSAZSVXJZQUQA-UHFFFAOYSA-N
MW694.16 g/mol
LogP14.65
Rot. Bonds3

About CID 71082782

CID 71082782 (PubChem CID 71082782) has the molecular formula C50H65Si and a molecular weight of 694.16 g/mol.

Molecular Properties

Compound NameCID 71082782
PubChem CID71082782
Molecular FormulaC50H65Si
Molecular Weight694.16 g/mol
Exact Mass693.49
IUPAC Name—
SMILESCC1=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2C1[Si](C)C.CC1=Cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1
InChIInChI=1S/C26H35Si.C24H30/c1-17-13-23-21(11-10-12-22(23)24(17)27(8)9)18-14-19(25(2,3)4)16-20(15-18)26(5,6)7;1-16-11-17-9-8-10-21(22(17)12-16)18-13-19(23(2,3)4)15-20(14-18)24(5,6)7/h10-16,24H,1-9H3;8-10,12-15H,11H2,1-7H3
InChIKeyKPSAZSVXJZQUQA-UHFFFAOYSA-N
XLogP14.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.16
LogP ≤ 514.65
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 71082782?
The IUPAC name of CID 71082782 (CID 71082782) is not available.
What is the SMILES notation for CID 71082782?
The canonical SMILES for CID 71082782 is CC1=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2C1[Si](C)C.CC1=Cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1.
What is the InChIKey of CID 71082782?
The InChIKey is KPSAZSVXJZQUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Si.C24H30/c1-17-13-23-21(11-10-12-22(23)24(17)27(8)9)18-14-19(25(2,3)4)16-20(15-18)26(5,6)7;1-16-11-17-9-8-10-21(22(17)12-16)18-13-19(23(2,3)4)15-20(14-18)24(5,6)7/h10-16,24H,1-9H3;8-10,12-15H,11H2,1-7H3.
What are the key properties of CID 71082782?
CID 71082782 has a molecular weight of 694.16 g/mol, XLogP of 14.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71082782 is sourced from PubChem (CID 71082782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).