dodecan-5-ol;phosphane;sulfane;zinc

C12H31OPSZn — CID 174611842

IUPACdodecan-5-ol;phosphane;sulfane;zinc
SMILESCCCCCCCC(O)CCCC.P.S.[Zn]
InChIInChI=1S/C12H26O.H3P.H2S.Zn/c1-3-5-7-8-9-11-12(13)10-6-4-2;;;/h12-13H,3-11H2,1-2H3;1H3;1H2;
InChIKeyIHZZBVJNLZGKEH-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.07
Rot. Bonds9

About dodecan-5-ol;phosphane;sulfane;zinc

dodecan-5-ol;phosphane;sulfane;zinc (PubChem CID 174611842) has the molecular formula C12H31OPSZn and a molecular weight of 319.81 g/mol. Its IUPAC name is dodecan-5-ol;phosphane;sulfane;zinc.

Molecular Properties

Compound Namedodecan-5-ol;phosphane;sulfane;zinc
PubChem CID174611842
Molecular FormulaC12H31OPSZn
Molecular Weight319.81 g/mol
Exact Mass318.11
IUPAC Namedodecan-5-ol;phosphane;sulfane;zinc
SMILESCCCCCCCC(O)CCCC.P.S.[Zn]
InChIInChI=1S/C12H26O.H3P.H2S.Zn/c1-3-5-7-8-9-11-12(13)10-6-4-2;;;/h12-13H,3-11H2,1-2H3;1H3;1H2;
InChIKeyIHZZBVJNLZGKEH-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

icosane-5,11-diol
CID 170722582
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191
icosane-5,10-diol
CID 170722579
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of dodecan-5-ol;phosphane;sulfane;zinc?
The IUPAC name of dodecan-5-ol;phosphane;sulfane;zinc (CID 174611842) is dodecan-5-ol;phosphane;sulfane;zinc.
What is the SMILES notation for dodecan-5-ol;phosphane;sulfane;zinc?
The canonical SMILES for dodecan-5-ol;phosphane;sulfane;zinc is CCCCCCCC(O)CCCC.P.S.[Zn].
What is the InChIKey of dodecan-5-ol;phosphane;sulfane;zinc?
The InChIKey is IHZZBVJNLZGKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.H3P.H2S.Zn/c1-3-5-7-8-9-11-12(13)10-6-4-2;;;/h12-13H,3-11H2,1-2H3;1H3;1H2;.
What are the key properties of dodecan-5-ol;phosphane;sulfane;zinc?
dodecan-5-ol;phosphane;sulfane;zinc has a molecular weight of 319.81 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-5-ol;phosphane;sulfane;zinc is sourced from PubChem (CID 174611842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).