CID 154067931

C26H47Sn — CID 154067931

IUPAC—
SMILES[Sn]CCCCCCCC(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H47.Sn/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h23-25H,1-22H2;
InChIKeyDXNRVLZSNRIGJX-UHFFFAOYSA-N
MW478.37 g/mol
LogP8.64
Rot. Bonds10

About CID 154067931

CID 154067931 (PubChem CID 154067931) has the molecular formula C26H47Sn and a molecular weight of 478.37 g/mol.

Molecular Properties

Compound NameCID 154067931
PubChem CID154067931
Molecular FormulaC26H47Sn
Molecular Weight478.37 g/mol
Exact Mass479.27
IUPAC Name—
SMILES[Sn]CCCCCCCC(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H47.Sn/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h23-25H,1-22H2;
InChIKeyDXNRVLZSNRIGJX-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.37
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 154067932
CID 154067932
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
2,2,2-tricyclohexylethanamine
CID 57066061
2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
6-cyclohexylundecan-6-ylcyclohexane
CID 140522686
3-cyclohexylnonan-3-ylphosphane
CID 174798619
1,1-dicyclohexylpentane-1,5-diol
CID 22179017
2,2-dicyclohexyldecanal
CID 88668774
6,15-dicyclohexylpentadecan-6-ylcyclohexane
CID 143323723
(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
CID 70467825
2,2-di(cyclododecyl)dodecanedioic acid
CID 121470791
tricyclohexylmethylsilane
CID 71348621

Frequently Asked Questions

What is the IUPAC name of CID 154067931?
The IUPAC name of CID 154067931 (CID 154067931) is not available.
What is the SMILES notation for CID 154067931?
The canonical SMILES for CID 154067931 is [Sn]CCCCCCCC(C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of CID 154067931?
The InChIKey is DXNRVLZSNRIGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47.Sn/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h23-25H,1-22H2;.
What are the key properties of CID 154067931?
CID 154067931 has a molecular weight of 478.37 g/mol, XLogP of 8.64, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154067931 is sourced from PubChem (CID 154067931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).