CID 88731684

C14H30MgO5S — CID 88731684

IUPAC—
SMILESCCCCCCCCCCCCOS(=O)(=O)OOCC.[Mg]
InChIInChI=1S/C14H30O5S.Mg/c1-3-5-6-7-8-9-10-11-12-13-14-18-20(15,16)19-17-4-2;/h3-14H2,1-2H3;
InChIKeyLDCRLNCAWGWQTP-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.76
Rot. Bonds15

About CID 88731684

CID 88731684 (PubChem CID 88731684) has the molecular formula C14H30MgO5S and a molecular weight of 334.76 g/mol.

Molecular Properties

Compound NameCID 88731684
PubChem CID88731684
Molecular FormulaC14H30MgO5S
Molecular Weight334.76 g/mol
Exact Mass334.17
IUPAC Name—
SMILESCCCCCCCCCCCCOS(=O)(=O)OOCC.[Mg]
InChIInChI=1S/C14H30O5S.Mg/c1-3-5-6-7-8-9-10-11-12-13-14-18-20(15,16)19-17-4-2;/h3-14H2,1-2H3;
InChIKeyLDCRLNCAWGWQTP-UHFFFAOYSA-N
XLogP3.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 87817922
CID 87817922
disodium;dodecyl ethoxy sulfate;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173417436
ethyl hexoxy sulfate
CID 174871914
2-ethoxyethyl undecoxy sulfate
CID 142735566
pentyl undecyl sulfate
CID 174900896
ditetracosyl sulfate
CID 101286725
ethyl octyl sulfate
CID 22483719
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium dihexadecyl sulfate
CID 23616668
hexyl sulfooxy sulfate
CID 175322750

Frequently Asked Questions

What is the IUPAC name of CID 88731684?
The IUPAC name of CID 88731684 (CID 88731684) is not available.
What is the SMILES notation for CID 88731684?
The canonical SMILES for CID 88731684 is CCCCCCCCCCCCOS(=O)(=O)OOCC.[Mg].
What is the InChIKey of CID 88731684?
The InChIKey is LDCRLNCAWGWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5S.Mg/c1-3-5-6-7-8-9-10-11-12-13-14-18-20(15,16)19-17-4-2;/h3-14H2,1-2H3;.
What are the key properties of CID 88731684?
CID 88731684 has a molecular weight of 334.76 g/mol, XLogP of 3.76, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88731684 is sourced from PubChem (CID 88731684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).