sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene

C8H19O4PS — CID 162033862

IUPACsulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene
SMILESCC(C)=C(C)C(C)C.O=P(O)(O)OS
InChIInChI=1S/C8H16.H3O4PS/c1-6(2)8(5)7(3)4;1-5(2,3)4-6/h6H,1-5H3;6H,(H2,1,2,3)
InChIKeyYWJROJNYPSTQJI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.94
Rot. Bonds2

About sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene

sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene (PubChem CID 162033862) has the molecular formula C8H19O4PS and a molecular weight of 242.28 g/mol. Its IUPAC name is sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene.

Molecular Properties

Compound Namesulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene
PubChem CID162033862
Molecular FormulaC8H19O4PS
Molecular Weight242.28 g/mol
Exact Mass242.07
IUPAC Namesulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene
SMILESCC(C)=C(C)C(C)C.O=P(O)(O)OS
InChIInChI=1S/C8H16.H3O4PS/c1-6(2)8(5)7(3)4;1-5(2,3)4-6/h6H,1-5H3;6H,(H2,1,2,3)
InChIKeyYWJROJNYPSTQJI-UHFFFAOYSA-N
XLogP2.94
TPSA66.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trimethylpent-2-ene
CID 11270
2,2-bis(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene
CID 159541601
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene
CID 174805597
(Z)-3,4-dimethylpent-2-ene-2-thiol
CID 176996545
magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate
CID 175158415
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
CID 161401294
1,1-dihydroxypropan-2-yl dihydrogen phosphate
CID 175328416
(2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate
CID 177092698

Frequently Asked Questions

What is the IUPAC name of sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene?
The IUPAC name of sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene (CID 162033862) is sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene.
What is the SMILES notation for sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene?
The canonical SMILES for sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene is CC(C)=C(C)C(C)C.O=P(O)(O)OS.
What is the InChIKey of sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene?
The InChIKey is YWJROJNYPSTQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.H3O4PS/c1-6(2)8(5)7(3)4;1-5(2,3)4-6/h6H,1-5H3;6H,(H2,1,2,3).
What are the key properties of sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene?
sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene has a molecular weight of 242.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl dihydrogen phosphate;2,3,4-trimethylpent-2-ene is sourced from PubChem (CID 162033862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).