CID 87683180

C16H31OSn — CID 87683180

IUPAC—
SMILESC=C([Sn])OC(CCCC)(CCCC)CCCCC
InChIInChI=1S/C16H31O.Sn/c1-5-9-12-15-16(17-8-4,13-10-6-2)14-11-7-3;/h4-7,9-15H2,1-3H3;
InChIKeyPJIKXHPUESPUIL-UHFFFAOYSA-N
MW358.13 g/mol
LogP5.34
Rot. Bonds12

About CID 87683180

CID 87683180 (PubChem CID 87683180) has the molecular formula C16H31OSn and a molecular weight of 358.13 g/mol.

Molecular Properties

Compound NameCID 87683180
PubChem CID87683180
Molecular FormulaC16H31OSn
Molecular Weight358.13 g/mol
Exact Mass359.14
IUPAC Name—
SMILESC=C([Sn])OC(CCCC)(CCCC)CCCCC
InChIInChI=1S/C16H31O.Sn/c1-5-9-12-15-16(17-8-4,13-10-6-2)14-11-7-3;/h4-7,9-15H2,1-3H3;
InChIKeyPJIKXHPUESPUIL-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.13
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-propyldecan-5-yl acetate
CID 172855546
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
9-octyloctadecan-9-yl acetate
CID 87256953
13-dodecylpentacosan-13-yl acetate
CID 57064481
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
bis(17-pentyltritriacontan-17-yl) hexanedioate
CID 90428517
5-butylnonan-5-yl methyl carbonate
CID 141441033
bis(5-butyldecan-5-yl) benzene-1,2-dicarboxylate
CID 70543205
10-(5-butyldodecan-5-yloxy)-10-oxodecanoic acid
CID 53447036
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
11-methoxy-11-nonyltetracosane
CID 159441841
14-tridecyloctacosan-14-yloxysilane
CID 173060340

Frequently Asked Questions

What is the IUPAC name of CID 87683180?
The IUPAC name of CID 87683180 (CID 87683180) is not available.
What is the SMILES notation for CID 87683180?
The canonical SMILES for CID 87683180 is C=C([Sn])OC(CCCC)(CCCC)CCCCC.
What is the InChIKey of CID 87683180?
The InChIKey is PJIKXHPUESPUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O.Sn/c1-5-9-12-15-16(17-8-4,13-10-6-2)14-11-7-3;/h4-7,9-15H2,1-3H3;.
What are the key properties of CID 87683180?
CID 87683180 has a molecular weight of 358.13 g/mol, XLogP of 5.34, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87683180 is sourced from PubChem (CID 87683180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).