6-phosphorosooxyhex-1-ene

C6H11O2P — CID 20648126

IUPAC6-phosphorosooxyhex-1-ene
SMILESC=CCCCCOP=O
InChIInChI=1S/C6H11O2P/c1-2-3-4-5-6-8-9-7/h2H,1,3-6H2
InChIKeyGTVMFVIENYQMAT-UHFFFAOYSA-N
MW146.13 g/mol
LogP2.57
Rot. Bonds6

About 6-phosphorosooxyhex-1-ene

6-phosphorosooxyhex-1-ene (PubChem CID 20648126) has the molecular formula C6H11O2P and a molecular weight of 146.13 g/mol. Its IUPAC name is 6-phosphorosooxyhex-1-ene.

Molecular Properties

Compound Name6-phosphorosooxyhex-1-ene
PubChem CID20648126
Molecular FormulaC6H11O2P
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Name6-phosphorosooxyhex-1-ene
SMILESC=CCCCCOP=O
InChIInChI=1S/C6H11O2P/c1-2-3-4-5-6-8-9-7/h2H,1,3-6H2
InChIKeyGTVMFVIENYQMAT-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 52.57
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

Dimethyl pent-4-enyl phosphate
CID 162407603
Tris(hex-5-enyl) phosphate
CID 13808105
5-Phosphorosooxypent-1-ene
CID 20669668
Pent-4-enyl phosphono hydrogen phosphate
CID 71344307
5-[Chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene
CID 87901590
Pent-4-enyl dihydrogen phosphate
CID 88443758
Hex-5-enoxy-oxo-(phosphonomethyl)phosphanium
CID 88502485
Hex-5-enoxy-oxo-(phosphonomethyl)phosphanium;hydrate
CID 88502489
Hex-5-enoxy(methyl)phosphinic acid
CID 89096445
Methyl(pent-4-enoxy)phosphinic acid
CID 141190498
Hex-5-enoxy(prop-2-enyl)phosphinic acid
CID 141538971
Ethane;hex-5-enoxy(methyl)phosphinic acid
CID 144460322

Frequently Asked Questions

What is the IUPAC name of 6-phosphorosooxyhex-1-ene?
The IUPAC name of 6-phosphorosooxyhex-1-ene (CID 20648126) is 6-phosphorosooxyhex-1-ene.
What is the SMILES notation for 6-phosphorosooxyhex-1-ene?
The canonical SMILES for 6-phosphorosooxyhex-1-ene is C=CCCCCOP=O.
What is the InChIKey of 6-phosphorosooxyhex-1-ene?
The InChIKey is GTVMFVIENYQMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2P/c1-2-3-4-5-6-8-9-7/h2H,1,3-6H2.
What are the key properties of 6-phosphorosooxyhex-1-ene?
6-phosphorosooxyhex-1-ene has a molecular weight of 146.13 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phosphorosooxyhex-1-ene is sourced from PubChem (CID 20648126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).