(4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide

C11H17O4P — CID 53240267

IUPAC(4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=CCCOP1(=O)O[C@H](C=C)C[C@H](C=C)O1
InChIInChI=1S/C11H17O4P/c1-4-7-8-13-16(12)14-10(5-2)9-11(6-3)15-16/h4-6,10-11H,1-3,7-9H2/t10-,11+,16?
InChIKeySFIOGVIFWAYIAJ-SOSAQKQKSA-N
MW244.23 g/mol
LogP3.23
Rot. Bonds6

About (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide

(4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 53240267) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name(4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID53240267
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name(4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=CCCOP1(=O)O[C@H](C=C)C[C@H](C=C)O1
InChIInChI=1S/C11H17O4P/c1-4-7-8-13-16(12)14-10(5-2)9-11(6-3)15-16/h4-6,10-11H,1-3,7-9H2/t10-,11+,16?
InChIKeySFIOGVIFWAYIAJ-SOSAQKQKSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.23
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'}

Analyze (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide (CID 53240267) is (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide is C=CCCOP1(=O)O[C@H](C=C)C[C@H](C=C)O1.
What is the InChIKey of (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is SFIOGVIFWAYIAJ-SOSAQKQKSA-N. The full InChI is InChI=1S/C11H17O4P/c1-4-7-8-13-16(12)14-10(5-2)9-11(6-3)15-16/h4-6,10-11H,1-3,7-9H2/t10-,11+,16?.
What are the key properties of (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
(4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 244.23 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2-but-3-enoxy-4,6-bis(ethenyl)-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 53240267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).