CID 154410784

C16H26O2S — CID 154410784

IUPAC—
SMILESCCCC/C=C\CSCC=C=CCCCC(=O)OC
InChIInChI=1S/C16H26O2S/c1-3-4-5-8-11-14-19-15-12-9-6-7-10-13-16(17)18-2/h6,8,11-12H,3-5,7,10,13-15H2,1-2H3/b11-8-
InChIKeyHEBMCXJPBMZZTC-FLIBITNWSA-N
MW282.45 g/mol
LogP4.52
Rot. Bonds11

About CID 154410784

CID 154410784 (PubChem CID 154410784) has the molecular formula C16H26O2S and a molecular weight of 282.45 g/mol.

Molecular Properties

Compound NameCID 154410784
PubChem CID154410784
Molecular FormulaC16H26O2S
Molecular Weight282.45 g/mol
Exact Mass282.17
IUPAC Name—
SMILESCCCC/C=C\CSCC=C=CCCCC(=O)OC
InChIInChI=1S/C16H26O2S/c1-3-4-5-8-11-14-19-15-12-9-6-7-10-13-16(17)18-2/h6,8,11-12H,3-5,7,10,13-15H2,1-2H3/b11-8-
InChIKeyHEBMCXJPBMZZTC-FLIBITNWSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl dec-5-enoate
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methyl (Z)-undec-5-enoate
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methyl dodec-5-enoate
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methyl (E)-hexadec-11-enoate
CID 5364696
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl (9E,11E)-hexadeca-9,11-dienoate
CID 175988172
methyl hexadeca-9,11-dienoate
CID 71381501
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317

Frequently Asked Questions

What is the IUPAC name of CID 154410784?
The IUPAC name of CID 154410784 (CID 154410784) is not available.
What is the SMILES notation for CID 154410784?
The canonical SMILES for CID 154410784 is CCCC/C=C\CSCC=C=CCCCC(=O)OC.
What is the InChIKey of CID 154410784?
The InChIKey is HEBMCXJPBMZZTC-FLIBITNWSA-N. The full InChI is InChI=1S/C16H26O2S/c1-3-4-5-8-11-14-19-15-12-9-6-7-10-13-16(17)18-2/h6,8,11-12H,3-5,7,10,13-15H2,1-2H3/b11-8-.
What are the key properties of CID 154410784?
CID 154410784 has a molecular weight of 282.45 g/mol, XLogP of 4.52, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154410784 is sourced from PubChem (CID 154410784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).