hexa-1,5-dien-3-yl dihydrogen phosphite

C6H11O3P — CID 87738765

IUPAChexa-1,5-dien-3-yl dihydrogen phosphite
SMILESC=CCC(C=C)OP(O)O
InChIInChI=1S/C6H11O3P/c1-3-5-6(4-2)9-10(7)8/h3-4,6-8H,1-2,5H2
InChIKeyKUOFVDONLLRPPS-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.35
Rot. Bonds5

About hexa-1,5-dien-3-yl dihydrogen phosphite

hexa-1,5-dien-3-yl dihydrogen phosphite (PubChem CID 87738765) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is hexa-1,5-dien-3-yl dihydrogen phosphite.

Molecular Properties

Compound Namehexa-1,5-dien-3-yl dihydrogen phosphite
PubChem CID87738765
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Namehexa-1,5-dien-3-yl dihydrogen phosphite
SMILESC=CCC(C=C)OP(O)O
InChIInChI=1S/C6H11O3P/c1-3-5-6(4-2)9-10(7)8/h3-4,6-8H,1-2,5H2
InChIKeyKUOFVDONLLRPPS-UHFFFAOYSA-N
XLogP1.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pent-4-en-2-yl dihydrogen phosphate
CID 21344880
But-3-en-2-yloxy-hydroxy-oxophosphanium
CID 22756511
Bis(hexa-1,5-dien-3-yl) hydrogen phosphate
CID 87233492
Hexa-1,5-dien-3-yl dihydrogen phosphate
CID 87318622
Ethoxy-oxo-pent-4-en-2-yloxyphosphanium
CID 88686747
chloro-[(3S)-hexa-1,5-dien-3-yl]oxyphosphinic acid
CID 88734634
Hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid
CID 88759572
Hexa-1,5-dien-3-yloxy(prop-2-enyl)phosphinic acid
CID 88759708
Ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid
CID 88760750
Hepta-1,6-dien-4-yl dihydrogen phosphate
CID 121482613
Penta-1,4-dien-3-yl dihydrogen phosphate
CID 140231622
But-3-en-2-yl dihydrogen phosphite
CID 151571559

Frequently Asked Questions

What is the IUPAC name of hexa-1,5-dien-3-yl dihydrogen phosphite?
The IUPAC name of hexa-1,5-dien-3-yl dihydrogen phosphite (CID 87738765) is hexa-1,5-dien-3-yl dihydrogen phosphite.
What is the SMILES notation for hexa-1,5-dien-3-yl dihydrogen phosphite?
The canonical SMILES for hexa-1,5-dien-3-yl dihydrogen phosphite is C=CCC(C=C)OP(O)O.
What is the InChIKey of hexa-1,5-dien-3-yl dihydrogen phosphite?
The InChIKey is KUOFVDONLLRPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c1-3-5-6(4-2)9-10(7)8/h3-4,6-8H,1-2,5H2.
What are the key properties of hexa-1,5-dien-3-yl dihydrogen phosphite?
hexa-1,5-dien-3-yl dihydrogen phosphite has a molecular weight of 162.12 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-dien-3-yl dihydrogen phosphite is sourced from PubChem (CID 87738765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).