[(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane

C14H24NP — CID 139501380

IUPAC[(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane
SMILESC=C(/C(P)=C\C=C/C)N1CC(C(C)(C)C)C1
InChIInChI=1S/C14H24NP/c1-6-7-8-13(16)11(2)15-9-12(10-15)14(3,4)5/h6-8,12H,2,9-10,16H2,1,3-5H3/b7-6-,13-8+
InChIKeyYGBBWMGSKWMZKA-ONVRAGQBSA-N
MW237.33 g/mol
LogP3.81
Rot. Bonds3

About [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane

[(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane (PubChem CID 139501380) has the molecular formula C14H24NP and a molecular weight of 237.33 g/mol. Its IUPAC name is [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane.

Molecular Properties

Compound Name[(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane
PubChem CID139501380
Molecular FormulaC14H24NP
Molecular Weight237.33 g/mol
Exact Mass237.16
IUPAC Name[(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane
SMILESC=C(/C(P)=C\C=C/C)N1CC(C(C)(C)C)C1
InChIInChI=1S/C14H24NP/c1-6-7-8-13(16)11(2)15-9-12(10-15)14(3,4)5/h6-8,12H,2,9-10,16H2,1,3-5H3/b7-6-,13-8+
InChIKeyYGBBWMGSKWMZKA-ONVRAGQBSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane?
The IUPAC name of [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane (CID 139501380) is [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane.
What is the SMILES notation for [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane?
The canonical SMILES for [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane is C=C(/C(P)=C\C=C/C)N1CC(C(C)(C)C)C1.
What is the InChIKey of [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane?
The InChIKey is YGBBWMGSKWMZKA-ONVRAGQBSA-N. The full InChI is InChI=1S/C14H24NP/c1-6-7-8-13(16)11(2)15-9-12(10-15)14(3,4)5/h6-8,12H,2,9-10,16H2,1,3-5H3/b7-6-,13-8+.
What are the key properties of [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane?
[(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane has a molecular weight of 237.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-2-(3-tert-butylazetidin-1-yl)hepta-1,3,5-trien-3-yl]phosphane is sourced from PubChem (CID 139501380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).