12-phosphonooxydodecan-2-yl prop-2-enoate

C15H29O6P — CID 141003754

IUPAC12-phosphonooxydodecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C15H29O6P/c1-3-15(16)21-14(2)12-10-8-6-4-5-7-9-11-13-20-22(17,18)19/h3,14H,1,4-13H2,2H3,(H2,17,18,19)
InChIKeyONQXBAWWSQGPET-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.72
Rot. Bonds14

About 12-phosphonooxydodecan-2-yl prop-2-enoate

12-phosphonooxydodecan-2-yl prop-2-enoate (PubChem CID 141003754) has the molecular formula C15H29O6P and a molecular weight of 336.37 g/mol. Its IUPAC name is 12-phosphonooxydodecan-2-yl prop-2-enoate.

Molecular Properties

Compound Name12-phosphonooxydodecan-2-yl prop-2-enoate
PubChem CID141003754
Molecular FormulaC15H29O6P
Molecular Weight336.37 g/mol
Exact Mass336.17
IUPAC Name12-phosphonooxydodecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C15H29O6P/c1-3-15(16)21-14(2)12-10-8-6-4-5-7-9-11-13-20-22(17,18)19/h3,14H,1,4-13H2,2H3,(H2,17,18,19)
InChIKeyONQXBAWWSQGPET-UHFFFAOYSA-N
XLogP3.72
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate
CID 174879383
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
[3-oxo-3-(5-prop-2-enoyloxyhexoxy)propyl]phosphonic acid
CID 141274929
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
4-dihydroxyphosphinothioyloxybutan-2-yl prop-2-enoate
CID 174977844
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
5-methylhexan-2-yl prop-2-enoate
CID 151222941
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094

Frequently Asked Questions

What is the IUPAC name of 12-phosphonooxydodecan-2-yl prop-2-enoate?
The IUPAC name of 12-phosphonooxydodecan-2-yl prop-2-enoate (CID 141003754) is 12-phosphonooxydodecan-2-yl prop-2-enoate.
What is the SMILES notation for 12-phosphonooxydodecan-2-yl prop-2-enoate?
The canonical SMILES for 12-phosphonooxydodecan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 12-phosphonooxydodecan-2-yl prop-2-enoate?
The InChIKey is ONQXBAWWSQGPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O6P/c1-3-15(16)21-14(2)12-10-8-6-4-5-7-9-11-13-20-22(17,18)19/h3,14H,1,4-13H2,2H3,(H2,17,18,19).
What are the key properties of 12-phosphonooxydodecan-2-yl prop-2-enoate?
12-phosphonooxydodecan-2-yl prop-2-enoate has a molecular weight of 336.37 g/mol, XLogP of 3.72, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phosphonooxydodecan-2-yl prop-2-enoate is sourced from PubChem (CID 141003754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).