ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane

C14H27O2PS4 — CID 134317995

IUPACethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane
SMILESC#CP(OCC(C)SSC(C)C)OCC(C)SSC(C)C
InChIInChI=1S/C14H27O2PS4/c1-8-17(15-9-13(6)20-18-11(2)3)16-10-14(7)21-19-12(4)5/h1,11-14H,9-10H2,2-7H3
InChIKeyCDYQWXMDUAYTIE-UHFFFAOYSA-N
MW386.61 g/mol
LogP6.28
Rot. Bonds12

About ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane

ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane (PubChem CID 134317995) has the molecular formula C14H27O2PS4 and a molecular weight of 386.61 g/mol. Its IUPAC name is ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane.

Molecular Properties

Compound Nameethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane
PubChem CID134317995
Molecular FormulaC14H27O2PS4
Molecular Weight386.61 g/mol
Exact Mass386.06
IUPAC Nameethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane
SMILESC#CP(OCC(C)SSC(C)C)OCC(C)SSC(C)C
InChIInChI=1S/C14H27O2PS4/c1-8-17(15-9-13(6)20-18-11(2)3)16-10-14(7)21-19-12(4)5/h1,11-14H,9-10H2,2-7H3
InChIKeyCDYQWXMDUAYTIE-UHFFFAOYSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane
CID 139420724
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
triethyl-[2-(propan-2-yldisulfanyl)-2-propan-2-yloxyethyl]-λ4-sulfane
CID 170071143
ethane;4-propan-2-ylsulfanylhex-1-yn-3-ol;prop-1-yne
CID 143703246
N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 147538116
phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225
ruthenium;tetrakis(tris(2-methylpropyl) phosphite)
CID 173315514
4-methylhex-1-yn-3-ol
CID 64914374
4-methyl-3-propan-2-ylhex-1-yne
CID 153404672
2-methyl-1-prop-2-ynoxypropane
CID 57470525
3-butan-2-yloxypent-1-yne
CID 89195467
N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 24984157

Frequently Asked Questions

What is the IUPAC name of ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane?
The IUPAC name of ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane (CID 134317995) is ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane.
What is the SMILES notation for ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane?
The canonical SMILES for ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane is C#CP(OCC(C)SSC(C)C)OCC(C)SSC(C)C.
What is the InChIKey of ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane?
The InChIKey is CDYQWXMDUAYTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O2PS4/c1-8-17(15-9-13(6)20-18-11(2)3)16-10-14(7)21-19-12(4)5/h1,11-14H,9-10H2,2-7H3.
What are the key properties of ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane?
ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane has a molecular weight of 386.61 g/mol, XLogP of 6.28, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane is sourced from PubChem (CID 134317995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).