2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide

C9H15O3P — CID 15866834

IUPAC2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide
SMILESC=CCCOP1(=O)CC=CCCO1
InChIInChI=1S/C9H15O3P/c1-2-3-7-11-13(10)9-6-4-5-8-12-13/h2,4,6H,1,3,5,7-9H2
InChIKeyNLLVGDYIOPKZFY-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.75
Rot. Bonds4

About 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide

2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide (PubChem CID 15866834) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide.

Molecular Properties

Compound Name2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide
PubChem CID15866834
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide
SMILESC=CCCOP1(=O)CC=CCCO1
InChIInChI=1S/C9H15O3P/c1-2-3-7-11-13(10)9-6-4-5-8-12-13/h2,4,6H,1,3,5,7-9H2
InChIKeyNLLVGDYIOPKZFY-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.75
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

(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene
CID 10775488
(Z)-1-diethoxyphosphorylhex-3-ene
CID 134980857
(2R)-4-methyl-2-(2-methylprop-2-enyl)-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide
CID 134999412
(E)-1-diethoxyphosphorylhept-2-ene
CID 11287746
(E)-1-diethoxyphosphorylpent-2-ene
CID 14220163
4-[But-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene
CID 15402847
4-[But-3-enoxy(prop-2-enyl)phosphoryl]oxybut-1-ene
CID 15866831
(3E)-6-dimethylphosphoryloxyhexa-1,3-diene
CID 20726635
[(E)-hex-2-enyl]-oxo-propoxyphosphanium
CID 21131786
(4E)-6-diethoxyphosphorylhepta-1,4-diene
CID 21502689
(4E)-6-diethoxyphosphorylhexa-1,4-diene
CID 21502690
(E)-2-diethoxyphosphoryloct-3-ene
CID 21502692

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide?
The IUPAC name of 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide (CID 15866834) is 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide.
What is the SMILES notation for 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide?
The canonical SMILES for 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide is C=CCCOP1(=O)CC=CCCO1.
What is the InChIKey of 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide?
The InChIKey is NLLVGDYIOPKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P/c1-2-3-7-11-13(10)9-6-4-5-8-12-13/h2,4,6H,1,3,5,7-9H2.
What are the key properties of 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide?
2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide has a molecular weight of 202.19 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-6,7-dihydro-3H-1,2lambda5-oxaphosphepine 2-oxide is sourced from PubChem (CID 15866834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).