hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium

C9H16O4P+ — CID 71368925

IUPAChydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium
SMILESC=C(CCC(=O)OC(C)(C)C)[P+](=O)O
InChIInChI=1S/C9H15O4P/c1-7(14(11)12)5-6-8(10)13-9(2,3)4/h1,5-6H2,2-4H3/p+1
InChIKeyDIAIVLKIWVOVDV-UHFFFAOYSA-O
MW219.20 g/mol
LogP2.36
Rot. Bonds4

About hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium

hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium (PubChem CID 71368925) has the molecular formula C9H16O4P+ and a molecular weight of 219.20 g/mol. Its IUPAC name is hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium
PubChem CID71368925
Molecular FormulaC9H16O4P+
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Namehydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium
SMILESC=C(CCC(=O)OC(C)(C)C)[P+](=O)O
InChIInChI=1S/C9H15O4P/c1-7(14(11)12)5-6-8(10)13-9(2,3)4/h1,5-6H2,2-4H3/p+1
InChIKeyDIAIVLKIWVOVDV-UHFFFAOYSA-O
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium
CID 14765238
ditert-butyl pentanedioate
CID 3016405
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
tert-butyl (E)-7-iodo-4-methylidenehept-6-enoate
CID 102235083
tert-butyl 4-(2,2-difluoroethylamino)-4-oxobutanoate
CID 106707626
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate
CID 134372105
tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132148
tert-butyl 5-(dimethylamino)-4,5-dioxopentanoate
CID 158207133

Frequently Asked Questions

What is the IUPAC name of hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium?
The IUPAC name of hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium (CID 71368925) is hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium.
What is the SMILES notation for hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium?
The canonical SMILES for hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium is C=C(CCC(=O)OC(C)(C)C)[P+](=O)O.
What is the InChIKey of hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium?
The InChIKey is DIAIVLKIWVOVDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15O4P/c1-7(14(11)12)5-6-8(10)13-9(2,3)4/h1,5-6H2,2-4H3/p+1.
What are the key properties of hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium?
hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium has a molecular weight of 219.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium is sourced from PubChem (CID 71368925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).