hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium

C9H16O2P+ — CID 13268675

IUPAChydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium
SMILESCC(=C=C(C)C(C)(C)C)[P+](=O)O
InChIInChI=1S/C9H15O2P/c1-7(9(3,4)5)6-8(2)12(10)11/h1-5H3/p+1
InChIKeyOLZZPZUDVVIVIS-UHFFFAOYSA-O
MW187.20 g/mol
LogP3.22
Rot. Bonds1

About hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium

hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium (PubChem CID 13268675) has the molecular formula C9H16O2P+ and a molecular weight of 187.20 g/mol. Its IUPAC name is hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium
PubChem CID13268675
Molecular FormulaC9H16O2P+
Molecular Weight187.20 g/mol
Exact Mass187.09
IUPAC Namehydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium
SMILESCC(=C=C(C)C(C)(C)C)[P+](=O)O
InChIInChI=1S/C9H15O2P/c1-7(9(3,4)5)6-8(2)12(10)11/h1-5H3/p+1
InChIKeyOLZZPZUDVVIVIS-UHFFFAOYSA-O
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene
CID 134921949
2,3,3-trimethylbut-1-enylidenemanganese
CID 139264368
hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium
CID 71368925
2,2-dimethylpropyl-hydroxy-oxophosphanium
CID 89268152
hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium
CID 88854983
3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene
CID 24978404
bis(dihydroxy(oxo)phosphanium);ethene
CID 157056745
dihydroxy(oxo)phosphanium;ethenone
CID 174479647
hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium
CID 88663341
4,5,5-trimethylhexa-2,3-dienenitrile
CID 12868362
2,2,3,5-tetramethylhexa-3,4-dienoic acid
CID 171726826
2-methylpent-3-yn-2-yl 2-methylprop-2-enoate
CID 164803611

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium?
The IUPAC name of hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium (CID 13268675) is hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium?
The canonical SMILES for hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium is CC(=C=C(C)C(C)(C)C)[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium?
The InChIKey is OLZZPZUDVVIVIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15O2P/c1-7(9(3,4)5)6-8(2)12(10)11/h1-5H3/p+1.
What are the key properties of hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium?
hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium has a molecular weight of 187.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium is sourced from PubChem (CID 13268675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).