methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane

C17H23P — CID 143952425

IUPACmethyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane
SMILESCPC(CC(C)C)c1cccc2c(C)cccc12
InChIInChI=1S/C17H23P/c1-12(2)11-17(18-4)16-10-6-8-14-13(3)7-5-9-15(14)16/h5-10,12,17-18H,11H2,1-4H3
InChIKeyZTHPPRIDOQLHOB-UHFFFAOYSA-N
MW258.34 g/mol
LogP5.54
Rot. Bonds4

About methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane

methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane (PubChem CID 143952425) has the molecular formula C17H23P and a molecular weight of 258.34 g/mol. Its IUPAC name is methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane.

Molecular Properties

Compound Namemethyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane
PubChem CID143952425
Molecular FormulaC17H23P
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Namemethyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane
SMILESCPC(CC(C)C)c1cccc2c(C)cccc12
InChIInChI=1S/C17H23P/c1-12(2)11-17(18-4)16-10-6-8-14-13(3)7-5-9-15(14)16/h5-10,12,17-18H,11H2,1-4H3
InChIKeyZTHPPRIDOQLHOB-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.34
LogP ≤ 55.54
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-1-(4-methylnaphthalen-1-yl)butan-1-ol
CID 57071428
1,5-dimethylnaphthalene
CID 162159355
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612
2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
CID 139609928
1-(bromomethyl)-5-methylnaphthalene
CID 15657418
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol
CID 167919622
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
ethane;methyl-[3-methyl-1-(1-phenylpyridin-1-ium-4-yl)butyl]phosphane
CID 142964930
3-methyl-2-(4-methylpentan-2-yloxy)aniline
CID 115550876
1-(1-chloro-4-methylpentan-2-yl)-2-methylbenzene
CID 79419088
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503

Frequently Asked Questions

What is the IUPAC name of methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane?
The IUPAC name of methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane (CID 143952425) is methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane.
What is the SMILES notation for methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane?
The canonical SMILES for methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane is CPC(CC(C)C)c1cccc2c(C)cccc12.
What is the InChIKey of methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane?
The InChIKey is ZTHPPRIDOQLHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23P/c1-12(2)11-17(18-4)16-10-6-8-14-13(3)7-5-9-15(14)16/h5-10,12,17-18H,11H2,1-4H3.
What are the key properties of methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane?
methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane has a molecular weight of 258.34 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane is sourced from PubChem (CID 143952425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).