2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide

C24H47O4P — CID 75986753

IUPAC2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=CC(CCCCCC)C1CC(CCCCCCCCCCC)OP(=O)(OC)O1
InChIInChI=1S/C24H47O4P/c1-5-8-10-12-13-14-15-16-18-20-23-21-24(28-29(25,26-4)27-23)22(7-3)19-17-11-9-6-2/h7,22-24H,3,5-6,8-21H2,1-2,4H3
InChIKeyOFCMGUJOQUSWEE-UHFFFAOYSA-N
MW430.61 g/mol
LogP8.61
Rot. Bonds18

About 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 75986753) has the molecular formula C24H47O4P and a molecular weight of 430.61 g/mol. Its IUPAC name is 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID75986753
Molecular FormulaC24H47O4P
Molecular Weight430.61 g/mol
Exact Mass430.32
IUPAC Name2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=CC(CCCCCC)C1CC(CCCCCCCCCCC)OP(=O)(OC)O1
InChIInChI=1S/C24H47O4P/c1-5-8-10-12-13-14-15-16-18-20-23-21-24(28-29(25,26-4)27-23)22(7-3)19-17-11-9-6-2/h7,22-24H,3,5-6,8-21H2,1-2,4H3
InChIKeyOFCMGUJOQUSWEE-UHFFFAOYSA-N
XLogP8.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.61
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 75986753) is 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide is C=CC(CCCCCC)C1CC(CCCCCCCCCCC)OP(=O)(OC)O1.
What is the InChIKey of 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is OFCMGUJOQUSWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47O4P/c1-5-8-10-12-13-14-15-16-18-20-23-21-24(28-29(25,26-4)27-23)22(7-3)19-17-11-9-6-2/h7,22-24H,3,5-6,8-21H2,1-2,4H3.
What are the key properties of 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 430.61 g/mol, XLogP of 8.61, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 75986753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).