CID 174581073

C15H28N4O2Sn — CID 174581073

IUPAC—
SMILESCCCCOC(=O)C(CCCC)(CCCC)c1nn[nH]n1.[Sn]
InChIInChI=1S/C15H28N4O2.Sn/c1-4-7-10-15(11-8-5-2,13-16-18-19-17-13)14(20)21-12-9-6-3;/h4-12H2,1-3H3,(H,16,17,18,19);
InChIKeyPOYBVNYFIZOMCH-UHFFFAOYSA-N
MW415.13 g/mol
LogP2.78
Rot. Bonds11

About CID 174581073

CID 174581073 (PubChem CID 174581073) has the molecular formula C15H28N4O2Sn and a molecular weight of 415.13 g/mol.

Molecular Properties

Compound NameCID 174581073
PubChem CID174581073
Molecular FormulaC15H28N4O2Sn
Molecular Weight415.13 g/mol
Exact Mass416.12
IUPAC Name—
SMILESCCCCOC(=O)C(CCCC)(CCCC)c1nn[nH]n1.[Sn]
InChIInChI=1S/C15H28N4O2.Sn/c1-4-7-10-15(11-8-5-2,13-16-18-19-17-13)14(20)21-12-9-6-3;/h4-12H2,1-3H3,(H,16,17,18,19);
InChIKeyPOYBVNYFIZOMCH-UHFFFAOYSA-N
XLogP2.78
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-butyl-2-(2H-tetrazol-5-yl)hexanoate
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5-(2-methylhexan-2-yl)-2H-tetrazole
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CID 89262436
dibutyl 2-butyl-2-propan-2-ylpropanedioate
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3-butoxycarbonyl-3-hydroxyheptanoic acid
CID 89400300
butyl 3-amino-2-carbamoyl-2-hydroxy-3-oxopropanoate
CID 175015726
butyl 2-butyl-2-propan-2-ylhexanoate
CID 175170157
butyl 2-butyl-2-(sulfanylmethyl)hexanoate
CID 175260978
butyl 2,2,2-tris(sulfanyl)acetate
CID 118063051
butyl 2-butoxy-2,2-bis(sulfanyl)acetate
CID 141383867
butyl 2-iodo-2-methylpropanoate
CID 87865989
octyl 2-dodecyl-2-hydroxyoctadecanoate
CID 87083782

Frequently Asked Questions

What is the IUPAC name of CID 174581073?
The IUPAC name of CID 174581073 (CID 174581073) is not available.
What is the SMILES notation for CID 174581073?
The canonical SMILES for CID 174581073 is CCCCOC(=O)C(CCCC)(CCCC)c1nn[nH]n1.[Sn].
What is the InChIKey of CID 174581073?
The InChIKey is POYBVNYFIZOMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.Sn/c1-4-7-10-15(11-8-5-2,13-16-18-19-17-13)14(20)21-12-9-6-3;/h4-12H2,1-3H3,(H,16,17,18,19);.
What are the key properties of CID 174581073?
CID 174581073 has a molecular weight of 415.13 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174581073 is sourced from PubChem (CID 174581073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).