propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate

C12H27O7P — CID 168833294

IUPACpropan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
SMILESCC(C)OCCOCCOCCOP(=O)(O)OC(C)C
InChIInChI=1S/C12H27O7P/c1-11(2)17-9-7-15-5-6-16-8-10-18-20(13,14)19-12(3)4/h11-12H,5-10H2,1-4H3,(H,13,14)
InChIKeyWFJJZDQWDGENQI-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.99
Rot. Bonds13

About propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate

propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate (PubChem CID 168833294) has the molecular formula C12H27O7P and a molecular weight of 314.31 g/mol. Its IUPAC name is propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
PubChem CID168833294
Molecular FormulaC12H27O7P
Molecular Weight314.31 g/mol
Exact Mass314.15
IUPAC Namepropan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
SMILESCC(C)OCCOCCOCCOP(=O)(O)OC(C)C
InChIInChI=1S/C12H27O7P/c1-11(2)17-9-7-15-5-6-16-8-10-18-20(13,14)19-12(3)4/h11-12H,5-10H2,1-4H3,(H,13,14)
InChIKeyWFJJZDQWDGENQI-UHFFFAOYSA-N
XLogP1.99
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-[2-[2-[2-[2-[hydroxy(pentan-3-yloxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl propyl hydrogen phosphate
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(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
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6-[hexadecoxy(hydroxy)phosphoryl]oxyhexyl propan-2-yl hydrogen phosphate
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1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
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methyl 3-propan-2-yloxypropyl hydrogen phosphate
CID 89017051
hexadecoxy-dihydroxy-[6-[hydroxy(propan-2-yloxy)phosphoryl]oxyhexoxy]phosphanium
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2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride
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2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate?
The IUPAC name of propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate (CID 168833294) is propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate.
What is the SMILES notation for propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate?
The canonical SMILES for propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate is CC(C)OCCOCCOCCOP(=O)(O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate?
The InChIKey is WFJJZDQWDGENQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O7P/c1-11(2)17-9-7-15-5-6-16-8-10-18-20(13,14)19-12(3)4/h11-12H,5-10H2,1-4H3,(H,13,14).
What are the key properties of propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate?
propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate has a molecular weight of 314.31 g/mol, XLogP of 1.99, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate is sourced from PubChem (CID 168833294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).