[(3E)-hexa-1,3-dien-3-yl]phosphane

C6H11P — CID 142203829

IUPAC[(3E)-hexa-1,3-dien-3-yl]phosphane
SMILESC=C/C(P)=C\CC
InChIInChI=1S/C6H11P/c1-3-5-6(7)4-2/h4-5H,2-3,7H2,1H3/b6-5+
InChIKeyUGIGQDIQCYOLRF-AATRIKPKSA-N
MW114.13 g/mol
LogP2.34
Rot. Bonds2

About [(3E)-hexa-1,3-dien-3-yl]phosphane

[(3E)-hexa-1,3-dien-3-yl]phosphane (PubChem CID 142203829) has the molecular formula C6H11P and a molecular weight of 114.13 g/mol. Its IUPAC name is [(3E)-hexa-1,3-dien-3-yl]phosphane.

Molecular Properties

Compound Name[(3E)-hexa-1,3-dien-3-yl]phosphane
PubChem CID142203829
Molecular FormulaC6H11P
Molecular Weight114.13 g/mol
Exact Mass114.06
IUPAC Name[(3E)-hexa-1,3-dien-3-yl]phosphane
SMILESC=C/C(P)=C\CC
InChIInChI=1S/C6H11P/c1-3-5-6(7)4-2/h4-5H,2-3,7H2,1H3/b6-5+
InChIKeyUGIGQDIQCYOLRF-AATRIKPKSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
but-1-ene;ethane;(3E)-hexa-1,3-dien-3-ol
CID 143333385
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
CID 145153838
ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene
CID 143290103
(E)-3-ethenyl-2-oxohex-3-enal
CID 143240518
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
ethanol;prop-2-enoic acid
CID 159350313
but-1-ene-1,1-dithiol
CID 87922875
(Z)-2-ethenylsulfanylpent-2-ene
CID 142149125
(4E)-4-methoxyhepta-1,4-dien-3-one
CID 90944896

Frequently Asked Questions

What is the IUPAC name of [(3E)-hexa-1,3-dien-3-yl]phosphane?
The IUPAC name of [(3E)-hexa-1,3-dien-3-yl]phosphane (CID 142203829) is [(3E)-hexa-1,3-dien-3-yl]phosphane.
What is the SMILES notation for [(3E)-hexa-1,3-dien-3-yl]phosphane?
The canonical SMILES for [(3E)-hexa-1,3-dien-3-yl]phosphane is C=C/C(P)=C\CC.
What is the InChIKey of [(3E)-hexa-1,3-dien-3-yl]phosphane?
The InChIKey is UGIGQDIQCYOLRF-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11P/c1-3-5-6(7)4-2/h4-5H,2-3,7H2,1H3/b6-5+.
What are the key properties of [(3E)-hexa-1,3-dien-3-yl]phosphane?
[(3E)-hexa-1,3-dien-3-yl]phosphane has a molecular weight of 114.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-1,3-dien-3-yl]phosphane is sourced from PubChem (CID 142203829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).