ethynyl-bis(prop-2-enyl)phosphane

C8H11P — CID 87877973

IUPACethynyl-bis(prop-2-enyl)phosphane
SMILESC#CP(CC=C)CC=C
InChIInChI=1S/C8H11P/c1-4-7-9(6-3)8-5-2/h3-5H,1-2,7-8H2
InChIKeyPORHUDHYVHZBEI-UHFFFAOYSA-N
MW138.15 g/mol
LogP2.43
Rot. Bonds4

About ethynyl-bis(prop-2-enyl)phosphane

ethynyl-bis(prop-2-enyl)phosphane (PubChem CID 87877973) has the molecular formula C8H11P and a molecular weight of 138.15 g/mol. Its IUPAC name is ethynyl-bis(prop-2-enyl)phosphane.

Molecular Properties

Compound Nameethynyl-bis(prop-2-enyl)phosphane
PubChem CID87877973
Molecular FormulaC8H11P
Molecular Weight138.15 g/mol
Exact Mass138.06
IUPAC Nameethynyl-bis(prop-2-enyl)phosphane
SMILESC#CP(CC=C)CC=C
InChIInChI=1S/C8H11P/c1-4-7-9(6-3)8-5-2/h3-5H,1-2,7-8H2
InChIKeyPORHUDHYVHZBEI-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

palladium;tetrakis(tris(prop-2-enyl)phosphane)
CID 173355733
indigane;tris(prop-2-enyl)phosphane
CID 173012611
tris(prop-2-enyl)phosphane;hydrate
CID 173137967
CID 87126920
CID 87126920
CID 12844421
CID 12844421
3-bromoprop-1-ene;3-bromoprop-1-yne
CID 18624532
carbonic acid;pent-1-en-4-yne
CID 87653517
ethenone;prop-2-en-1-amine
CID 173182769
propane;prop-1-ene;prop-1-yne
CID 144517597
deca-1,9-diene;deca-1,9-diyne
CID 167656021
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
2-deuteriobut-1-en-3-yne
CID 56648350

Frequently Asked Questions

What is the IUPAC name of ethynyl-bis(prop-2-enyl)phosphane?
The IUPAC name of ethynyl-bis(prop-2-enyl)phosphane (CID 87877973) is ethynyl-bis(prop-2-enyl)phosphane.
What is the SMILES notation for ethynyl-bis(prop-2-enyl)phosphane?
The canonical SMILES for ethynyl-bis(prop-2-enyl)phosphane is C#CP(CC=C)CC=C.
What is the InChIKey of ethynyl-bis(prop-2-enyl)phosphane?
The InChIKey is PORHUDHYVHZBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11P/c1-4-7-9(6-3)8-5-2/h3-5H,1-2,7-8H2.
What are the key properties of ethynyl-bis(prop-2-enyl)phosphane?
ethynyl-bis(prop-2-enyl)phosphane has a molecular weight of 138.15 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-bis(prop-2-enyl)phosphane is sourced from PubChem (CID 87877973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).