bis(3,3-dimethylbutan-2-yl)-phenylphosphane

C18H31P — CID 174333758

IUPACbis(3,3-dimethylbutan-2-yl)-phenylphosphane
SMILESCC(P(c1ccccc1)C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H31P/c1-14(17(3,4)5)19(15(2)18(6,7)8)16-12-10-9-11-13-16/h9-15H,1-8H3
InChIKeyVGNITOOVDSUJAV-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.66
Rot. Bonds3

About bis(3,3-dimethylbutan-2-yl)-phenylphosphane

bis(3,3-dimethylbutan-2-yl)-phenylphosphane (PubChem CID 174333758) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is bis(3,3-dimethylbutan-2-yl)-phenylphosphane.

Molecular Properties

Compound Namebis(3,3-dimethylbutan-2-yl)-phenylphosphane
PubChem CID174333758
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Namebis(3,3-dimethylbutan-2-yl)-phenylphosphane
SMILESCC(P(c1ccccc1)C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H31P/c1-14(17(3,4)5)19(15(2)18(6,7)8)16-12-10-9-11-13-16/h9-15H,1-8H3
InChIKeyVGNITOOVDSUJAV-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.66
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

trimethyl-[phenyl-[phenyl(trimethylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
CID 139118371
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
2,2-dimethylpropane;triphenylphosphane
CID 143924519
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine
CID 15145880
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-amine
CID 10731871
bis[(1S)-1-cyclopentylethyl]-phenylphosphane
CID 59045088
1-diphenylphosphanylethane-1,1-diol
CID 151023834
chloro-phenyl-propan-2-ylphosphane
CID 10867074
(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
CID 87282083
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
CID 134285768

Frequently Asked Questions

What is the IUPAC name of bis(3,3-dimethylbutan-2-yl)-phenylphosphane?
The IUPAC name of bis(3,3-dimethylbutan-2-yl)-phenylphosphane (CID 174333758) is bis(3,3-dimethylbutan-2-yl)-phenylphosphane.
What is the SMILES notation for bis(3,3-dimethylbutan-2-yl)-phenylphosphane?
The canonical SMILES for bis(3,3-dimethylbutan-2-yl)-phenylphosphane is CC(P(c1ccccc1)C(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of bis(3,3-dimethylbutan-2-yl)-phenylphosphane?
The InChIKey is VGNITOOVDSUJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P/c1-14(17(3,4)5)19(15(2)18(6,7)8)16-12-10-9-11-13-16/h9-15H,1-8H3.
What are the key properties of bis(3,3-dimethylbutan-2-yl)-phenylphosphane?
bis(3,3-dimethylbutan-2-yl)-phenylphosphane has a molecular weight of 278.42 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-dimethylbutan-2-yl)-phenylphosphane is sourced from PubChem (CID 174333758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).