4-butylphosphinine

C9H13P — CID 141455009

IUPAC4-butylphosphinine
SMILESCCCCc1ccpcc1
InChIInChI=1S/C9H13P/c1-2-3-4-9-5-7-10-8-6-9/h5-8H,2-4H2,1H3
InChIKeyAJBDCTRFEULPNK-UHFFFAOYSA-N
MW152.18 g/mol
LogP3.61
Rot. Bonds3

About 4-butylphosphinine

4-butylphosphinine (PubChem CID 141455009) has the molecular formula C9H13P and a molecular weight of 152.18 g/mol. Its IUPAC name is 4-butylphosphinine.

Molecular Properties

Compound Name4-butylphosphinine
PubChem CID141455009
Molecular FormulaC9H13P
Molecular Weight152.18 g/mol
Exact Mass152.08
IUPAC Name4-butylphosphinine
SMILESCCCCc1ccpcc1
InChIInChI=1S/C9H13P/c1-2-3-4-9-5-7-10-8-6-9/h5-8H,2-4H2,1H3
InChIKeyAJBDCTRFEULPNK-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
butylbenzene;propylbenzene
CID 142022125
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
butylbenzene;hydroxylamine
CID 175142403
4-butylphenol;tungsten
CID 174758928
CID 57493424
CID 57493424
4,5-bis(4-butylphenyl)cyclopent-4-ene-1,2,3-trione
CID 132941130
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
magnesium;butylbenzene;bromide
CID 54724510

Frequently Asked Questions

What is the IUPAC name of 4-butylphosphinine?
The IUPAC name of 4-butylphosphinine (CID 141455009) is 4-butylphosphinine.
What is the SMILES notation for 4-butylphosphinine?
The canonical SMILES for 4-butylphosphinine is CCCCc1ccpcc1.
What is the InChIKey of 4-butylphosphinine?
The InChIKey is AJBDCTRFEULPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13P/c1-2-3-4-9-5-7-10-8-6-9/h5-8H,2-4H2,1H3.
What are the key properties of 4-butylphosphinine?
4-butylphosphinine has a molecular weight of 152.18 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylphosphinine is sourced from PubChem (CID 141455009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).