[(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium

C11H22O2P+ — CID 11195329

IUPAC[(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium
SMILESCCC/C=C(\CCC)[P+](=O)OC(C)C
InChIInChI=1S/C11H22O2P/c1-5-7-9-11(8-6-2)14(12)13-10(3)4/h9-10H,5-8H2,1-4H3/q+1/b11-9+
InChIKeyACGZZHQWQOSACQ-PKNBQFBNSA-N
MW217.27 g/mol
LogP4.64
Rot. Bonds7

About [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium

[(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium (PubChem CID 11195329) has the molecular formula C11H22O2P+ and a molecular weight of 217.27 g/mol. Its IUPAC name is [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Name[(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium
PubChem CID11195329
Molecular FormulaC11H22O2P+
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name[(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium
SMILESCCC/C=C(\CCC)[P+](=O)OC(C)C
InChIInChI=1S/C11H22O2P/c1-5-7-9-11(8-6-2)14(12)13-10(3)4/h9-10H,5-8H2,1-4H3/q+1/b11-9+
InChIKeyACGZZHQWQOSACQ-PKNBQFBNSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyhex-2-ene
CID 123193761
(E)-2-methyl-4-propyloct-4-en-3-ol
CID 102155759
(E,3R)-2-methyl-4-propyloct-4-en-3-ol
CID 11019550
N,N-di(propan-2-yl)oct-4-en-4-amine
CID 141319755
(E)-4-tert-butyloct-4-ene
CID 140632550
4-ethyl-5-propylnona-1,5-diene
CID 173391787
2-propylhex-2-eneperoxoic acid
CID 175435177
3-propylhept-3-en-2-one
CID 537652
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
CID 23064704
CID 23064704
(E)-4-bromooct-4-ene
CID 13093303
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium?
The IUPAC name of [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium (CID 11195329) is [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium is CCC/C=C(\CCC)[P+](=O)OC(C)C.
What is the InChIKey of [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium?
The InChIKey is ACGZZHQWQOSACQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H22O2P/c1-5-7-9-11(8-6-2)14(12)13-10(3)4/h9-10H,5-8H2,1-4H3/q+1/b11-9+.
What are the key properties of [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium?
[(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium has a molecular weight of 217.27 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 11195329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).