2-(4-butylphenyl)ethylidene-phosphanylphosphane

C12H18P2 — CID 89156743

IUPAC2-(4-butylphenyl)ethylidene-phosphanylphosphane
SMILESCCCCc1ccc(C/C=P/P)cc1
InChIInChI=1S/C12H18P2/c1-2-3-4-11-5-7-12(8-6-11)9-10-14-13/h5-8,10H,2-4,9,13H2,1H3
InChIKeyNGYLTVCJAQUIOZ-UHFFFAOYSA-N
MW224.22 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-butylphenyl)ethylidene-phosphanylphosphane

2-(4-butylphenyl)ethylidene-phosphanylphosphane (PubChem CID 89156743) has the molecular formula C12H18P2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(4-butylphenyl)ethylidene-phosphanylphosphane.

Molecular Properties

Compound Name2-(4-butylphenyl)ethylidene-phosphanylphosphane
PubChem CID89156743
Molecular FormulaC12H18P2
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-(4-butylphenyl)ethylidene-phosphanylphosphane
SMILESCCCCc1ccc(C/C=P/P)cc1
InChIInChI=1S/C12H18P2/c1-2-3-4-11-5-7-12(8-6-11)9-10-14-13/h5-8,10H,2-4,9,13H2,1H3
InChIKeyNGYLTVCJAQUIOZ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
1-butyl-4-nonylbenzene
CID 59545302
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-buta-2,3-dienyl-4-butylbenzene
CID 90986104
CID 57493424
CID 57493424
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-butyl-4-(3-methoxyprop-2-enyl)benzene
CID 67159821
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine
CID 142391741

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)ethylidene-phosphanylphosphane?
The IUPAC name of 2-(4-butylphenyl)ethylidene-phosphanylphosphane (CID 89156743) is 2-(4-butylphenyl)ethylidene-phosphanylphosphane.
What is the SMILES notation for 2-(4-butylphenyl)ethylidene-phosphanylphosphane?
The canonical SMILES for 2-(4-butylphenyl)ethylidene-phosphanylphosphane is CCCCc1ccc(C/C=P/P)cc1.
What is the InChIKey of 2-(4-butylphenyl)ethylidene-phosphanylphosphane?
The InChIKey is NGYLTVCJAQUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18P2/c1-2-3-4-11-5-7-12(8-6-11)9-10-14-13/h5-8,10H,2-4,9,13H2,1H3.
What are the key properties of 2-(4-butylphenyl)ethylidene-phosphanylphosphane?
2-(4-butylphenyl)ethylidene-phosphanylphosphane has a molecular weight of 224.22 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)ethylidene-phosphanylphosphane is sourced from PubChem (CID 89156743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).