(2-methyl-4-phenylbutylidene)-phosphanylphosphane

C11H16P2 — CID 89156817

IUPAC(2-methyl-4-phenylbutylidene)-phosphanylphosphane
SMILESCC(/C=P/P)CCc1ccccc1
InChIInChI=1S/C11H16P2/c1-10(9-13-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8,12H2,1H3
InChIKeyQSPLXEULRDTRAE-UHFFFAOYSA-N
MW210.20 g/mol
LogP3.79
Rot. Bonds4

About (2-methyl-4-phenylbutylidene)-phosphanylphosphane

(2-methyl-4-phenylbutylidene)-phosphanylphosphane (PubChem CID 89156817) has the molecular formula C11H16P2 and a molecular weight of 210.20 g/mol. Its IUPAC name is (2-methyl-4-phenylbutylidene)-phosphanylphosphane.

Molecular Properties

Compound Name(2-methyl-4-phenylbutylidene)-phosphanylphosphane
PubChem CID89156817
Molecular FormulaC11H16P2
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name(2-methyl-4-phenylbutylidene)-phosphanylphosphane
SMILESCC(/C=P/P)CCc1ccccc1
InChIInChI=1S/C11H16P2/c1-10(9-13-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8,12H2,1H3
InChIKeyQSPLXEULRDTRAE-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 53.79
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

[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene
CID 67234615
(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
CID 134997291
4-methyl-6-phenylhex-2-enoic acid
CID 70467961
(2R)-4-phenylbutane-2-thiol
CID 28974861
(2S)-4-phenylbutan-2-amine
CID 6994564
ethene;3-methylbutylbenzene
CID 145421013
3-phosphorosobutylbenzene
CID 165430186
trimethyl(2-phenylethyl)phosphanium
CID 10777798
CID 173414157
CID 173414157
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
3,4-dimethylhexylbenzene
CID 72602417

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylbutylidene)-phosphanylphosphane?
The IUPAC name of (2-methyl-4-phenylbutylidene)-phosphanylphosphane (CID 89156817) is (2-methyl-4-phenylbutylidene)-phosphanylphosphane.
What is the SMILES notation for (2-methyl-4-phenylbutylidene)-phosphanylphosphane?
The canonical SMILES for (2-methyl-4-phenylbutylidene)-phosphanylphosphane is CC(/C=P/P)CCc1ccccc1.
What is the InChIKey of (2-methyl-4-phenylbutylidene)-phosphanylphosphane?
The InChIKey is QSPLXEULRDTRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16P2/c1-10(9-13-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8,12H2,1H3.
What are the key properties of (2-methyl-4-phenylbutylidene)-phosphanylphosphane?
(2-methyl-4-phenylbutylidene)-phosphanylphosphane has a molecular weight of 210.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenylbutylidene)-phosphanylphosphane is sourced from PubChem (CID 89156817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).