1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium

C27H48O8P2+2 — CID 155027197

IUPAC1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium
SMILESCC(OC(C)[P+](=O)CCCCC[P+](=O)C(C)OC(C)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1
InChIInChI=1S/C27H48O8P2/c1-20(26(28)34-24-14-8-5-9-15-24)32-22(3)36(30)18-12-7-13-19-37(31)23(4)33-21(2)27(29)35-25-16-10-6-11-17-25/h20-25H,5-19H2,1-4H3/q+2
InChIKeySEVFBTNHZWZKND-UHFFFAOYSA-N
MW562.62 g/mol
LogP7.07
Rot. Bonds16

About 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium

1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium (PubChem CID 155027197) has the molecular formula C27H48O8P2+2 and a molecular weight of 562.62 g/mol. Its IUPAC name is 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium.

Molecular Properties

Compound Name1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium
PubChem CID155027197
Molecular FormulaC27H48O8P2+2
Molecular Weight562.62 g/mol
Exact Mass562.28
IUPAC Name1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium
SMILESCC(OC(C)[P+](=O)CCCCC[P+](=O)C(C)OC(C)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1
InChIInChI=1S/C27H48O8P2/c1-20(26(28)34-24-14-8-5-9-15-24)32-22(3)36(30)18-12-7-13-19-37(31)23(4)33-21(2)27(29)35-25-16-10-6-11-17-25/h20-25H,5-19H2,1-4H3/q+2
InChIKeySEVFBTNHZWZKND-UHFFFAOYSA-N
XLogP7.07
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.62
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium?
The IUPAC name of 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium (CID 155027197) is 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium.
What is the SMILES notation for 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium?
The canonical SMILES for 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium is CC(OC(C)[P+](=O)CCCCC[P+](=O)C(C)OC(C)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium?
The InChIKey is SEVFBTNHZWZKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O8P2/c1-20(26(28)34-24-14-8-5-9-15-24)32-22(3)36(30)18-12-7-13-19-37(31)23(4)33-21(2)27(29)35-25-16-10-6-11-17-25/h20-25H,5-19H2,1-4H3/q+2.
What are the key properties of 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium?
1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium has a molecular weight of 562.62 g/mol, XLogP of 7.07, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-[5-[1-(1-cyclohexyloxy-1-oxopropan-2-yl)oxyethyl-oxophosphaniumyl]pentyl]-oxophosphanium is sourced from PubChem (CID 155027197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).