10-phosphonooxydecyl (Z)-but-2-enoate

C14H27O6P — CID 175720762

IUPAC10-phosphonooxydecyl (Z)-but-2-enoate
SMILESC/C=C\C(=O)OCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C14H27O6P/c1-2-11-14(15)19-12-9-7-5-3-4-6-8-10-13-20-21(16,17)18/h2,11H,3-10,12-13H2,1H3,(H2,16,17,18)/b11-2-
InChIKeyKQLYNMIIFDFERE-FUQNDXKWSA-N
MW322.34 g/mol
LogP3.34
Rot. Bonds13

About 10-phosphonooxydecyl (Z)-but-2-enoate

10-phosphonooxydecyl (Z)-but-2-enoate (PubChem CID 175720762) has the molecular formula C14H27O6P and a molecular weight of 322.34 g/mol. Its IUPAC name is 10-phosphonooxydecyl (Z)-but-2-enoate.

Molecular Properties

Compound Name10-phosphonooxydecyl (Z)-but-2-enoate
PubChem CID175720762
Molecular FormulaC14H27O6P
Molecular Weight322.34 g/mol
Exact Mass322.15
IUPAC Name10-phosphonooxydecyl (Z)-but-2-enoate
SMILESC/C=C\C(=O)OCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C14H27O6P/c1-2-11-14(15)19-12-9-7-5-3-4-6-8-10-13-20-21(16,17)18/h2,11H,3-10,12-13H2,1H3,(H2,16,17,18)/b11-2-
InChIKeyKQLYNMIIFDFERE-FUQNDXKWSA-N
XLogP3.34
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.34
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

9-[hydroxy(phosphonooxy)phosphoryl]oxynonyl but-2-enoate
CID 150866761
dodecyl (E)-but-2-enoate
CID 5462914
(6-but-2-enoyloxy-1-phosphonooxyhexan-3-yl)-tripropylazanium
CID 175328580
2-but-2-enoyloxyethylphosphonic acid
CID 73432329
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
8-trichlorosilyloctyl but-2-enoate
CID 174105922
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042

Frequently Asked Questions

What is the IUPAC name of 10-phosphonooxydecyl (Z)-but-2-enoate?
The IUPAC name of 10-phosphonooxydecyl (Z)-but-2-enoate (CID 175720762) is 10-phosphonooxydecyl (Z)-but-2-enoate.
What is the SMILES notation for 10-phosphonooxydecyl (Z)-but-2-enoate?
The canonical SMILES for 10-phosphonooxydecyl (Z)-but-2-enoate is C/C=C\C(=O)OCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 10-phosphonooxydecyl (Z)-but-2-enoate?
The InChIKey is KQLYNMIIFDFERE-FUQNDXKWSA-N. The full InChI is InChI=1S/C14H27O6P/c1-2-11-14(15)19-12-9-7-5-3-4-6-8-10-13-20-21(16,17)18/h2,11H,3-10,12-13H2,1H3,(H2,16,17,18)/b11-2-.
What are the key properties of 10-phosphonooxydecyl (Z)-but-2-enoate?
10-phosphonooxydecyl (Z)-but-2-enoate has a molecular weight of 322.34 g/mol, XLogP of 3.34, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phosphonooxydecyl (Z)-but-2-enoate is sourced from PubChem (CID 175720762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).