CID 177498549

C40H81KSi3 — CID 177498549

IUPAC—
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12[C-]3C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C32[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[K+]
InChIInChI=1S/C40H81Si3.K/c1-29(2,3)41(30(4,5)6,31(7,8)9)38-28-39(38,42(32(10,11)12,33(13,14)15)34(16,17)18)40(28,38)43(35(19,20)21,36(22,23)24)37(25,26)27;/h1-27H3;/q-1;+1
InChIKeyUFGHVHREVVYJBS-UHFFFAOYSA-N
MW685.44 g/mol
LogP12.37
Rot. Bonds3

About CID 177498549

CID 177498549 (PubChem CID 177498549) has the molecular formula C40H81KSi3 and a molecular weight of 685.44 g/mol.

Molecular Properties

Compound NameCID 177498549
PubChem CID177498549
Molecular FormulaC40H81KSi3
Molecular Weight685.44 g/mol
Exact Mass684.53
IUPAC Name—
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12[C-]3C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C32[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[K+]
InChIInChI=1S/C40H81Si3.K/c1-29(2,3)41(30(4,5)6,31(7,8)9)38-28-39(38,42(32(10,11)12,33(13,14)15)34(16,17)18)40(28,38)43(35(19,20)21,36(22,23)24)37(25,26)27;/h1-27H3;/q-1;+1
InChIKeyUFGHVHREVVYJBS-UHFFFAOYSA-N
XLogP12.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.44
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177498549?
The IUPAC name of CID 177498549 (CID 177498549) is not available.
What is the SMILES notation for CID 177498549?
The canonical SMILES for CID 177498549 is CC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12[C-]3C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C32[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[K+].
What is the InChIKey of CID 177498549?
The InChIKey is UFGHVHREVVYJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H81Si3.K/c1-29(2,3)41(30(4,5)6,31(7,8)9)38-28-39(38,42(32(10,11)12,33(13,14)15)34(16,17)18)40(28,38)43(35(19,20)21,36(22,23)24)37(25,26)27;/h1-27H3;/q-1;+1.
What are the key properties of CID 177498549?
CID 177498549 has a molecular weight of 685.44 g/mol, XLogP of 12.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177498549 is sourced from PubChem (CID 177498549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).