ditert-butyl(hex-3-en-3-yl)phosphane

C14H29P — CID 140620496

IUPACditert-butyl(hex-3-en-3-yl)phosphane
SMILESCCC=C(CC)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29P/c1-9-11-12(10-2)15(13(3,4)5)14(6,7)8/h11H,9-10H2,1-8H3
InChIKeyTVTYKQBUFYESMR-UHFFFAOYSA-N
MW228.36 g/mol
LogP5.77
Rot. Bonds3

About ditert-butyl(hex-3-en-3-yl)phosphane

ditert-butyl(hex-3-en-3-yl)phosphane (PubChem CID 140620496) has the molecular formula C14H29P and a molecular weight of 228.36 g/mol. Its IUPAC name is ditert-butyl(hex-3-en-3-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl(hex-3-en-3-yl)phosphane
PubChem CID140620496
Molecular FormulaC14H29P
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Nameditert-butyl(hex-3-en-3-yl)phosphane
SMILESCCC=C(CC)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29P/c1-9-11-12(10-2)15(13(3,4)5)14(6,7)8/h11H,9-10H2,1-8H3
InChIKeyTVTYKQBUFYESMR-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.36
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl(hex-3-en-3-yl)phosphane?
The IUPAC name of ditert-butyl(hex-3-en-3-yl)phosphane (CID 140620496) is ditert-butyl(hex-3-en-3-yl)phosphane.
What is the SMILES notation for ditert-butyl(hex-3-en-3-yl)phosphane?
The canonical SMILES for ditert-butyl(hex-3-en-3-yl)phosphane is CCC=C(CC)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(hex-3-en-3-yl)phosphane?
The InChIKey is TVTYKQBUFYESMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29P/c1-9-11-12(10-2)15(13(3,4)5)14(6,7)8/h11H,9-10H2,1-8H3.
What are the key properties of ditert-butyl(hex-3-en-3-yl)phosphane?
ditert-butyl(hex-3-en-3-yl)phosphane has a molecular weight of 228.36 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(hex-3-en-3-yl)phosphane is sourced from PubChem (CID 140620496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).