2-methoxypenta-1,3-dien-3-yl phosphanylformate

C7H11O3P — CID 90916545

IUPAC2-methoxypenta-1,3-dien-3-yl phosphanylformate
SMILESC=C(OC)C(=CC)OC(=O)P
InChIInChI=1S/C7H11O3P/c1-4-6(5(2)9-3)10-7(8)11/h4H,2,11H2,1,3H3
InChIKeyLGSYTYOCJCJWFU-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.06
Rot. Bonds3

About 2-methoxypenta-1,3-dien-3-yl phosphanylformate

2-methoxypenta-1,3-dien-3-yl phosphanylformate (PubChem CID 90916545) has the molecular formula C7H11O3P and a molecular weight of 174.14 g/mol. Its IUPAC name is 2-methoxypenta-1,3-dien-3-yl phosphanylformate.

Molecular Properties

Compound Name2-methoxypenta-1,3-dien-3-yl phosphanylformate
PubChem CID90916545
Molecular FormulaC7H11O3P
Molecular Weight174.14 g/mol
Exact Mass174.04
IUPAC Name2-methoxypenta-1,3-dien-3-yl phosphanylformate
SMILESC=C(OC)C(=CC)OC(=O)P
InChIInChI=1S/C7H11O3P/c1-4-6(5(2)9-3)10-7(8)11/h4H,2,11H2,1,3H3
InChIKeyLGSYTYOCJCJWFU-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-ethenoxybut-2-enoate
CID 143080515
methyl 2-carbamoyloxybut-2-enoate
CID 173435391
(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine
CID 143245209
(3E)-2-bromo-3-methoxypenta-1,3-diene
CID 147749518
[(E)-1-methoxyprop-1-enyl] acetate
CID 22242401
methyl 3-methoxy-2-methylidenebut-3-enoate
CID 123350799
hydron;methyl 2-methylidenebutanoate
CID 174760127
(ethenylamino) phosphanylformate
CID 163529359
(3E)-3-bromo-2-methoxypenta-1,3-diene;ethane
CID 166167224
chloromethane;methylamino 2-methylidenebutanoate
CID 159451589
methyl (Z)-2-(methylideneamino)oxybut-2-enoate
CID 142544311
methyl (2E,4Z)-5-amino-2-(1-methoxyethenyl)penta-2,4-dienoate
CID 88913396

Frequently Asked Questions

What is the IUPAC name of 2-methoxypenta-1,3-dien-3-yl phosphanylformate?
The IUPAC name of 2-methoxypenta-1,3-dien-3-yl phosphanylformate (CID 90916545) is 2-methoxypenta-1,3-dien-3-yl phosphanylformate.
What is the SMILES notation for 2-methoxypenta-1,3-dien-3-yl phosphanylformate?
The canonical SMILES for 2-methoxypenta-1,3-dien-3-yl phosphanylformate is C=C(OC)C(=CC)OC(=O)P.
What is the InChIKey of 2-methoxypenta-1,3-dien-3-yl phosphanylformate?
The InChIKey is LGSYTYOCJCJWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O3P/c1-4-6(5(2)9-3)10-7(8)11/h4H,2,11H2,1,3H3.
What are the key properties of 2-methoxypenta-1,3-dien-3-yl phosphanylformate?
2-methoxypenta-1,3-dien-3-yl phosphanylformate has a molecular weight of 174.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypenta-1,3-dien-3-yl phosphanylformate is sourced from PubChem (CID 90916545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).