zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane

C12H25O2PS2Zn — CID 87748091

IUPACzinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
SMILESCCCCC(CCCCC(C)C)OP([O-])(=S)[S-].[Zn+2]
InChIInChI=1S/C12H27O2PS2.Zn/c1-4-5-9-12(14-15(13,16)17)10-7-6-8-11(2)3;/h11-12H,4-10H2,1-3H3,(H2,13,16,17);/q;+2/p-2
InChIKeyCPNBHBLUEZEGND-UHFFFAOYSA-L
MW361.83 g/mol
LogP3.91
Rot. Bonds10

About zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane

zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 87748091) has the molecular formula C12H25O2PS2Zn and a molecular weight of 361.83 g/mol. Its IUPAC name is zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namezinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
PubChem CID87748091
Molecular FormulaC12H25O2PS2Zn
Molecular Weight361.83 g/mol
Exact Mass360.03
IUPAC Namezinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
SMILESCCCCC(CCCCC(C)C)OP([O-])(=S)[S-].[Zn+2]
InChIInChI=1S/C12H27O2PS2.Zn/c1-4-5-9-12(14-15(13,16)17)10-7-6-8-11(2)3;/h11-12H,4-10H2,1-3H3,(H2,13,16,17);/q;+2/p-2
InChIKeyCPNBHBLUEZEGND-UHFFFAOYSA-L
XLogP3.91
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(7R)-7-methoxy-2-methylundecane
CID 118890177
zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 88795040
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;propane
CID 143695748
2-methylhexane;hydrochloride
CID 172797630
λ2-plumbane;2-methylheptane
CID 175297432
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyltetratriacontane
CID 14275207
CID 91544051
CID 91544051
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane (CID 87748091) is zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane is CCCCC(CCCCC(C)C)OP([O-])(=S)[S-].[Zn+2].
What is the InChIKey of zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is CPNBHBLUEZEGND-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H27O2PS2.Zn/c1-4-5-9-12(14-15(13,16)17)10-7-6-8-11(2)3;/h11-12H,4-10H2,1-3H3,(H2,13,16,17);/q;+2/p-2.
What are the key properties of zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 361.83 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 87748091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).