10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate

C14H27O6P — CID 140975270

IUPAC10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCOP(=O)(O)OC
InChIInChI=1S/C14H27O6P/c1-3-14(15)19-12-10-8-6-4-5-7-9-11-13-20-21(16,17)18-2/h3H,1,4-13H2,2H3,(H,16,17)
InChIKeyHEDYZZNUKRBODO-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.60
Rot. Bonds14

About 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate

10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate (PubChem CID 140975270) has the molecular formula C14H27O6P and a molecular weight of 322.34 g/mol. Its IUPAC name is 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate.

Molecular Properties

Compound Name10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate
PubChem CID140975270
Molecular FormulaC14H27O6P
Molecular Weight322.34 g/mol
Exact Mass322.15
IUPAC Name10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCOP(=O)(O)OC
InChIInChI=1S/C14H27O6P/c1-3-14(15)19-12-10-8-6-4-5-7-9-11-13-20-21(16,17)18-2/h3H,1,4-13H2,2H3,(H,16,17)
InChIKeyHEDYZZNUKRBODO-UHFFFAOYSA-N
XLogP3.60
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate
CID 138489892
2-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxyethyl-trimethylazanium
CID 87337635
3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate
CID 118588496
4-methoxybutyl prop-2-enoate
CID 22321356
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
methoxy(3-prop-2-enoyloxypropyl)phosphinic acid
CID 154634835
octyl(6-prop-2-enoyloxyhexyl)phosphinic acid
CID 139843819
hexadecyl(4-prop-2-enoyloxybutyl)phosphinic acid
CID 139843854
dimethyl hydrogen phosphate;ethyl prop-2-enoate
CID 87182550
decyl prop-2-enoate
CID 162172023
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650

Frequently Asked Questions

What is the IUPAC name of 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate?
The IUPAC name of 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate (CID 140975270) is 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate.
What is the SMILES notation for 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate?
The canonical SMILES for 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCOP(=O)(O)OC.
What is the InChIKey of 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate?
The InChIKey is HEDYZZNUKRBODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O6P/c1-3-14(15)19-12-10-8-6-4-5-7-9-11-13-20-21(16,17)18-2/h3H,1,4-13H2,2H3,(H,16,17).
What are the key properties of 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate?
10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate has a molecular weight of 322.34 g/mol, XLogP of 3.60, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate is sourced from PubChem (CID 140975270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).