(3-butylphenyl)-dimethylphosphane

C12H19P — CID 59561058

IUPAC(3-butylphenyl)-dimethylphosphane
SMILESCCCCc1cccc(P(C)C)c1
InChIInChI=1S/C12H19P/c1-4-5-7-11-8-6-9-12(10-11)13(2)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyKIDOBFNZEFTBOV-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.40
Rot. Bonds4

About (3-butylphenyl)-dimethylphosphane

(3-butylphenyl)-dimethylphosphane (PubChem CID 59561058) has the molecular formula C12H19P and a molecular weight of 194.26 g/mol. Its IUPAC name is (3-butylphenyl)-dimethylphosphane.

Molecular Properties

Compound Name(3-butylphenyl)-dimethylphosphane
PubChem CID59561058
Molecular FormulaC12H19P
Molecular Weight194.26 g/mol
Exact Mass194.12
IUPAC Name(3-butylphenyl)-dimethylphosphane
SMILESCCCCc1cccc(P(C)C)c1
InChIInChI=1S/C12H19P/c1-4-5-7-11-8-6-9-12(10-11)13(2)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyKIDOBFNZEFTBOV-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.40
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

1,3-di(tetradecyl)benzene
CID 91053224
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
acetylene;1-butyl-3-fluorobenzene
CID 142913636
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
1-butyl-3-prop-2-enylbenzene
CID 140596641
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
1-butyl-3-(2-phenylethynyl)benzene
CID 139636204
3-pentylaniline
CID 19911390
ethane;1-methyl-3-pentylbenzene
CID 143267779
2-(3-pentylphenyl)ethanol
CID 163236984
1,3-bis(3-butylperoxypropyl)benzene
CID 142762210

Frequently Asked Questions

What is the IUPAC name of (3-butylphenyl)-dimethylphosphane?
The IUPAC name of (3-butylphenyl)-dimethylphosphane (CID 59561058) is (3-butylphenyl)-dimethylphosphane.
What is the SMILES notation for (3-butylphenyl)-dimethylphosphane?
The canonical SMILES for (3-butylphenyl)-dimethylphosphane is CCCCc1cccc(P(C)C)c1.
What is the InChIKey of (3-butylphenyl)-dimethylphosphane?
The InChIKey is KIDOBFNZEFTBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19P/c1-4-5-7-11-8-6-9-12(10-11)13(2)3/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of (3-butylphenyl)-dimethylphosphane?
(3-butylphenyl)-dimethylphosphane has a molecular weight of 194.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylphenyl)-dimethylphosphane is sourced from PubChem (CID 59561058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).