(Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol

C11H22O4P2+2 — CID 91482662

IUPAC(Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol
SMILESC[CH+]P(C)(=O)OP(=O)([CH+]C)CC/C(C)=C\CO
InChIInChI=1S/C11H22O4P2/c1-5-16(4,13)15-17(14,6-2)10-8-11(3)7-9-12/h5-7,12H,8-10H2,1-4H3/q+2/b11-7-
InChIKeyJTMNBIJLHJLUAE-XFFZJAGNSA-N
MW280.24 g/mol
LogP3.88
Rot. Bonds8

About (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol

(Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol (PubChem CID 91482662) has the molecular formula C11H22O4P2+2 and a molecular weight of 280.24 g/mol. Its IUPAC name is (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol
PubChem CID91482662
Molecular FormulaC11H22O4P2+2
Molecular Weight280.24 g/mol
Exact Mass280.10
IUPAC Name(Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol
SMILESC[CH+]P(C)(=O)OP(=O)([CH+]C)CC/C(C)=C\CO
InChIInChI=1S/C11H22O4P2/c1-5-16(4,13)15-17(14,6-2)10-8-11(3)7-9-12/h5-7,12H,8-10H2,1-4H3/q+2/b11-7-
InChIKeyJTMNBIJLHJLUAE-XFFZJAGNSA-N
XLogP3.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
bis[(E)-4-hydroxy-2-methylbut-2-enoxy]phosphoryl bis[(E)-4-hydroxy-2-methylbut-2-enyl] phosphate
CID 87471449
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
methyl (E)-6-hydroxy-4-methylhex-4-enoate
CID 5362872
sodium [(Z)-4-hydroxy-2-methylbut-2-enyl] phosphono hydrogen phosphate
CID 46203911
sodium [(E)-4-hydroxy-2-methylbut-2-enyl] phosphono hydrogen phosphate
CID 46203910
5-amino-3-methylpent-2-en-1-ol
CID 167443308
triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate
CID 11222230
3,7,11-trimethyldodeca-2,7,10-trien-1-ol
CID 54253361
8-hydroxy-2,6-dimethyloct-6-en-3-one
CID 54166148
3-methylpent-2-ene-1,5-diol;propanoic acid
CID 71447026
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol?
The IUPAC name of (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol (CID 91482662) is (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol.
What is the SMILES notation for (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol?
The canonical SMILES for (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol is C[CH+]P(C)(=O)OP(=O)([CH+]C)CC/C(C)=C\CO.
What is the InChIKey of (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol?
The InChIKey is JTMNBIJLHJLUAE-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H22O4P2/c1-5-16(4,13)15-17(14,6-2)10-8-11(3)7-9-12/h5-7,12H,8-10H2,1-4H3/q+2/b11-7-.
What are the key properties of (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol?
(Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol has a molecular weight of 280.24 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[ethyl-[ethyl(methyl)phosphoryl]oxyphosphoryl]-3-methylpent-2-en-1-ol is sourced from PubChem (CID 91482662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).