butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane

C19H33O2P — CID 146246115

IUPACbutoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane
SMILESC=CC(=C)CCP(OCCCC)OCCC/C(C=C)=C\CC
InChIInChI=1S/C19H33O2P/c1-6-10-15-20-22(17-14-18(5)8-3)21-16-11-13-19(9-4)12-7-2/h8-9,12H,3-7,10-11,13-17H2,1-2H3/b19-12-
InChIKeyUEYWHGCLRJOJKT-UNOMPAQXSA-N
MW324.45 g/mol
LogP6.57
Rot. Bonds15

About butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane

butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane (PubChem CID 146246115) has the molecular formula C19H33O2P and a molecular weight of 324.45 g/mol. Its IUPAC name is butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane.

Molecular Properties

Compound Namebutoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane
PubChem CID146246115
Molecular FormulaC19H33O2P
Molecular Weight324.45 g/mol
Exact Mass324.22
IUPAC Namebutoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane
SMILESC=CC(=C)CCP(OCCCC)OCCC/C(C=C)=C\CC
InChIInChI=1S/C19H33O2P/c1-6-10-15-20-22(17-14-18(5)8-3)21-16-11-13-19(9-4)12-7-2/h8-9,12H,3-7,10-11,13-17H2,1-2H3/b19-12-
InChIKeyUEYWHGCLRJOJKT-UNOMPAQXSA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane?
The IUPAC name of butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane (CID 146246115) is butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane.
What is the SMILES notation for butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane?
The canonical SMILES for butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane is C=CC(=C)CCP(OCCCC)OCCC/C(C=C)=C\CC.
What is the InChIKey of butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane?
The InChIKey is UEYWHGCLRJOJKT-UNOMPAQXSA-N. The full InChI is InChI=1S/C19H33O2P/c1-6-10-15-20-22(17-14-18(5)8-3)21-16-11-13-19(9-4)12-7-2/h8-9,12H,3-7,10-11,13-17H2,1-2H3/b19-12-.
What are the key properties of butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane?
butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane has a molecular weight of 324.45 g/mol, XLogP of 6.57, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[(E)-4-ethenylhept-4-enoxy]-(3-methylidenepent-4-enyl)phosphane is sourced from PubChem (CID 146246115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).