(E)-1-dimethoxyphosphorylhex-1-ene

C8H17O3P — CID 12571366

IUPAC(E)-1-dimethoxyphosphorylhex-1-ene
SMILESCCCC/C=C/P(=O)(OC)OC
InChIInChI=1S/C8H17O3P/c1-4-5-6-7-8-12(9,10-2)11-3/h7-8H,4-6H2,1-3H3/b8-7+
InChIKeyHJGZCUNBKXKHRM-BQYQJAHWSA-N
MW192.20 g/mol
LogP3.18
Rot. Bonds6

About (E)-1-dimethoxyphosphorylhex-1-ene

(E)-1-dimethoxyphosphorylhex-1-ene (PubChem CID 12571366) has the molecular formula C8H17O3P and a molecular weight of 192.20 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphorylhex-1-ene.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphorylhex-1-ene
PubChem CID12571366
Molecular FormulaC8H17O3P
Molecular Weight192.20 g/mol
Exact Mass192.09
IUPAC Name(E)-1-dimethoxyphosphorylhex-1-ene
SMILESCCCC/C=C/P(=O)(OC)OC
InChIInChI=1S/C8H17O3P/c1-4-5-6-7-8-12(9,10-2)11-3/h7-8H,4-6H2,1-3H3/b8-7+
InChIKeyHJGZCUNBKXKHRM-BQYQJAHWSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-dimethoxyphosphoryltetracont-1-ene
CID 21315282
[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene
CID 134934628
1-bis(hept-1-enyl)phosphorylhept-1-ene
CID 150808635
(Z)-1-methoxynon-4-ene
CID 59123720
tris[(E)-hex-1-enyl] phosphate
CID 141190497
[(E)-octadec-1-enyl]phosphonic acid
CID 21162971
dec-1-enylphosphonic acid
CID 54269963
[(E)-hex-1-enyl] dihydrogen phosphate
CID 19800837
dec-5-ene;trihydrobromide
CID 175802238
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate
CID 11437437
diethyl hydrogen phosphate;non-4-ene
CID 175929703

Frequently Asked Questions

What is the IUPAC name of (E)-1-dimethoxyphosphorylhex-1-ene?
The IUPAC name of (E)-1-dimethoxyphosphorylhex-1-ene (CID 12571366) is (E)-1-dimethoxyphosphorylhex-1-ene.
What is the SMILES notation for (E)-1-dimethoxyphosphorylhex-1-ene?
The canonical SMILES for (E)-1-dimethoxyphosphorylhex-1-ene is CCCC/C=C/P(=O)(OC)OC.
What is the InChIKey of (E)-1-dimethoxyphosphorylhex-1-ene?
The InChIKey is HJGZCUNBKXKHRM-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17O3P/c1-4-5-6-7-8-12(9,10-2)11-3/h7-8H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-1-dimethoxyphosphorylhex-1-ene?
(E)-1-dimethoxyphosphorylhex-1-ene has a molecular weight of 192.20 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphorylhex-1-ene is sourced from PubChem (CID 12571366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).