11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene

C23H45O3P — CID 122218568

IUPAC11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene
SMILESC=CCCCCCCCCCOP(C)(=O)OCCCCCCCCCC=C
InChIInChI=1S/C23H45O3P/c1-4-6-8-10-12-14-16-18-20-22-25-27(3,24)26-23-21-19-17-15-13-11-9-7-5-2/h4-5H,1-2,6-23H2,3H3
InChIKeyWSUXSEBSTAZWKK-UHFFFAOYSA-N
MW400.58 g/mol
LogP8.46
Rot. Bonds22

About 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene

11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene (PubChem CID 122218568) has the molecular formula C23H45O3P and a molecular weight of 400.58 g/mol. Its IUPAC name is 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene.

Molecular Properties

Compound Name11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene
PubChem CID122218568
Molecular FormulaC23H45O3P
Molecular Weight400.58 g/mol
Exact Mass400.31
IUPAC Name11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene
SMILESC=CCCCCCCCCCOP(C)(=O)OCCCCCCCCCC=C
InChIInChI=1S/C23H45O3P/c1-4-6-8-10-12-14-16-18-20-22-25-27(3,24)26-23-21-19-17-15-13-11-9-7-5-2/h4-5H,1-2,6-23H2,3H3
InChIKeyWSUXSEBSTAZWKK-UHFFFAOYSA-N
XLogP8.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.58
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dioleyl Phosphate
CID 6436414
Trioleyl Phosphate
CID 6436723
Phosphoric acid monodec-9-enyl ester
CID 11447695
Disodium Oleyl Phosphate
CID 87093817
Oleyl ether phosphate (acid)
CID 6436357
Dioleyl phosphonate
CID 13652276
Phosphoric Acid Oleyl Ester
CID 6437191
Phosphonic acid, di-9-octadecen-1-yl ester
CID 6437966
9-Octadecen-1-ol, 1,1'-(hydrogen phosphate)
CID 6437965
9-octadecen-1-ol, (9z)-, phosphate, potassium salt
CID 6453761
1-(Octyloxy)-2,3-dihydro-1H-1lambda~5~-phosphol-1-one
CID 206329
9-Octadecen-1-ol, 1-(dihydrogen phosphate)
CID 82177

Frequently Asked Questions

What is the IUPAC name of 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene?
The IUPAC name of 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene (CID 122218568) is 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene.
What is the SMILES notation for 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene?
The canonical SMILES for 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene is C=CCCCCCCCCCOP(C)(=O)OCCCCCCCCCC=C.
What is the InChIKey of 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene?
The InChIKey is WSUXSEBSTAZWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45O3P/c1-4-6-8-10-12-14-16-18-20-22-25-27(3,24)26-23-21-19-17-15-13-11-9-7-5-2/h4-5H,1-2,6-23H2,3H3.
What are the key properties of 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene?
11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene has a molecular weight of 400.58 g/mol, XLogP of 8.46, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[methyl(undec-10-enoxy)phosphoryl]oxyundec-1-ene is sourced from PubChem (CID 122218568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).