5-methoxypent-1-en-3-yl dihydrogen phosphate

C6H13O5P — CID 175476467

IUPAC5-methoxypent-1-en-3-yl dihydrogen phosphate
SMILESC=CC(CCOC)OP(=O)(O)O
InChIInChI=1S/C6H13O5P/c1-3-6(4-5-10-2)11-12(7,8)9/h3,6H,1,4-5H2,2H3,(H2,7,8,9)
InChIKeyKQSRWIGFAQANPE-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.69
Rot. Bonds6

About 5-methoxypent-1-en-3-yl dihydrogen phosphate

5-methoxypent-1-en-3-yl dihydrogen phosphate (PubChem CID 175476467) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is 5-methoxypent-1-en-3-yl dihydrogen phosphate.

Molecular Properties

Compound Name5-methoxypent-1-en-3-yl dihydrogen phosphate
PubChem CID175476467
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name5-methoxypent-1-en-3-yl dihydrogen phosphate
SMILESC=CC(CCOC)OP(=O)(O)O
InChIInChI=1S/C6H13O5P/c1-3-6(4-5-10-2)11-12(7,8)9/h3,6H,1,4-5H2,2H3,(H2,7,8,9)
InChIKeyKQSRWIGFAQANPE-UHFFFAOYSA-N
XLogP0.69
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.69
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

5,5-dichloropent-1-en-3-yl dihydrogen phosphate
CID 88762073
hept-1-en-3-yl methyl hydrogen phosphate
CID 175860112
(1-amino-2-methoxyethyl) dihydrogen phosphate
CID 175014739
(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene
CID 124562631
3-acetyloxypent-4-enyl acetate
CID 12815001
6-methoxyhex-1-en-3-ol
CID 105108568
but-3-en-2-yloxy(ethenyl)phosphinic acid
CID 88761549
3-methylpent-4-enyl phosphono hydrogen phosphate
CID 101387104
heptan-4-yl dihydrogen phosphate
CID 18763997
5-amino-7-methoxyhept-1-en-4-one
CID 116567168
1-methoxydec-9-ene-3,6-diol
CID 91577196
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911

Frequently Asked Questions

What is the IUPAC name of 5-methoxypent-1-en-3-yl dihydrogen phosphate?
The IUPAC name of 5-methoxypent-1-en-3-yl dihydrogen phosphate (CID 175476467) is 5-methoxypent-1-en-3-yl dihydrogen phosphate.
What is the SMILES notation for 5-methoxypent-1-en-3-yl dihydrogen phosphate?
The canonical SMILES for 5-methoxypent-1-en-3-yl dihydrogen phosphate is C=CC(CCOC)OP(=O)(O)O.
What is the InChIKey of 5-methoxypent-1-en-3-yl dihydrogen phosphate?
The InChIKey is KQSRWIGFAQANPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-3-6(4-5-10-2)11-12(7,8)9/h3,6H,1,4-5H2,2H3,(H2,7,8,9).
What are the key properties of 5-methoxypent-1-en-3-yl dihydrogen phosphate?
5-methoxypent-1-en-3-yl dihydrogen phosphate has a molecular weight of 196.14 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypent-1-en-3-yl dihydrogen phosphate is sourced from PubChem (CID 175476467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).