CID 174564853

C30H44ClSi — CID 174564853

IUPAC—
SMILESCCCCCCCCCC.C[Si](C)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C10H22.C2H6ClSi/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-5-7-9-10-8-6-4-2;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;3-10H2,1-2H3;1-2H3
InChIKeyVIBIQPGXXZEDDM-UHFFFAOYSA-N
MW468.22 g/mol
LogP10.50
Rot. Bonds7

About CID 174564853

CID 174564853 (PubChem CID 174564853) has the molecular formula C30H44ClSi and a molecular weight of 468.22 g/mol.

Molecular Properties

Compound NameCID 174564853
PubChem CID174564853
Molecular FormulaC30H44ClSi
Molecular Weight468.22 g/mol
Exact Mass467.29
IUPAC Name—
SMILESCCCCCCCCCC.C[Si](C)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C10H22.C2H6ClSi/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-5-7-9-10-8-6-4-2;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;3-10H2,1-2H3;1-2H3
InChIKeyVIBIQPGXXZEDDM-UHFFFAOYSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.22
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

CID 174744465
CID 174744465
methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride
CID 174502115
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene
CID 174495782
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
1-hydroxypentan-2-one;1,2,3,4-tetrahydrochrysene
CID 174551823
1,2-dimethylnaphthalene;1,2,3,4-tetrahydrochrysene
CID 175241549
anthracene;dioctyl benzene-1,2-dicarboxylate;1,2,3,4-tetrahydrochrysene
CID 174825649
phenol;1,2,3,4-tetrahydrochrysene
CID 174851188

Frequently Asked Questions

What is the IUPAC name of CID 174564853?
The IUPAC name of CID 174564853 (CID 174564853) is not available.
What is the SMILES notation for CID 174564853?
The canonical SMILES for CID 174564853 is CCCCCCCCCC.C[Si](C)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.
What is the InChIKey of CID 174564853?
The InChIKey is VIBIQPGXXZEDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C10H22.C2H6ClSi/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-5-7-9-10-8-6-4-2;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;3-10H2,1-2H3;1-2H3.
What are the key properties of CID 174564853?
CID 174564853 has a molecular weight of 468.22 g/mol, XLogP of 10.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174564853 is sourced from PubChem (CID 174564853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).