butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium

C19H34O2P+ — CID 134970839

IUPACbutoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium
SMILESCCCCO[P+](=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H34O2P/c1-6-7-15-21-22(20)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14H,6-9,11,13,15-16H2,1-5H3/q+1/b18-12+,19-14+
InChIKeyIUVUFMICAYEUJK-IJNKXORISA-N
MW325.45 g/mol
LogP6.96
Rot. Bonds12

About butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium

butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium (PubChem CID 134970839) has the molecular formula C19H34O2P+ and a molecular weight of 325.45 g/mol. Its IUPAC name is butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium.

Molecular Properties

Compound Namebutoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium
PubChem CID134970839
Molecular FormulaC19H34O2P+
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Namebutoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium
SMILESCCCCO[P+](=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H34O2P/c1-6-7-15-21-22(20)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14H,6-9,11,13,15-16H2,1-5H3/q+1/b18-12+,19-14+
InChIKeyIUVUFMICAYEUJK-IJNKXORISA-N
XLogP6.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Geranylgeranyl phosphate
CID 46926146
All-trans-hexaprenyl phosphate
CID 146014787
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
Oxo-bis(3,7,11-trimethyldodeca-2,6,10-trienoxy)phosphanium
CID 76541874
Dimethyl farnesylphosphonate
CID 85101259
Nerylmonophosphate
CID 87479949
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879
(2E,6E)-1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene
CID 10041343
(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
CID 89272554
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11172316
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
CID 13165582

Frequently Asked Questions

What is the IUPAC name of butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium?
The IUPAC name of butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium (CID 134970839) is butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium.
What is the SMILES notation for butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium?
The canonical SMILES for butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium is CCCCO[P+](=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium?
The InChIKey is IUVUFMICAYEUJK-IJNKXORISA-N. The full InChI is InChI=1S/C19H34O2P/c1-6-7-15-21-22(20)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,14H,6-9,11,13,15-16H2,1-5H3/q+1/b18-12+,19-14+.
What are the key properties of butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium?
butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium has a molecular weight of 325.45 g/mol, XLogP of 6.96, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium is sourced from PubChem (CID 134970839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).