dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane

C11H23O5P — CID 141309691

IUPACdihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane
SMILESC#CCOP(O)(O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H23O5P/c1-8-9-14-17(12,13,15-10(2,3)4)16-11(5,6)7/h1,12-13H,9H2,2-7H3
InChIKeyIANSKQPGUOAEAF-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.38
Rot. Bonds4

About dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane

dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane (PubChem CID 141309691) has the molecular formula C11H23O5P and a molecular weight of 266.27 g/mol. Its IUPAC name is dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane
PubChem CID141309691
Molecular FormulaC11H23O5P
Molecular Weight266.27 g/mol
Exact Mass266.13
IUPAC Namedihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane
SMILESC#CCOP(O)(O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H23O5P/c1-8-9-14-17(12,13,15-10(2,3)4)16-11(5,6)7/h1,12-13H,9H2,2-7H3
InChIKeyIANSKQPGUOAEAF-UHFFFAOYSA-N
XLogP2.38
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane
CID 174669331
2-methyl-2-(prop-2-ynoxymethoxy)propane
CID 154594071
bis(2-bromo-2-methylpropanoic acid);prop-2-ynyl 2-bromo-2-methylpropanoate
CID 175518550
3-methyl-3-prop-2-ynoxybut-1-yne
CID 12813397
tert-butyl bis(prop-2-ynyl) phosphate
CID 134297129
prop-2-ynyl 2,2-dichloropropanoate
CID 131201308
bis(prop-2-ynyl) 2-fluoro-2-methylpropanedioate
CID 130209955
2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
CID 71370387
3-(111C)methoxyprop-1-yne
CID 58004452
3-hydroperoxyprop-1-yne
CID 19842358
2-prop-2-ynoxyprop-1-ene
CID 15853200
[(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol
CID 177296818

Frequently Asked Questions

What is the IUPAC name of dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane?
The IUPAC name of dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane (CID 141309691) is dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane.
What is the SMILES notation for dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane?
The canonical SMILES for dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane is C#CCOP(O)(O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane?
The InChIKey is IANSKQPGUOAEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O5P/c1-8-9-14-17(12,13,15-10(2,3)4)16-11(5,6)7/h1,12-13H,9H2,2-7H3.
What are the key properties of dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane?
dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane has a molecular weight of 266.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane is sourced from PubChem (CID 141309691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).