[3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane

C17H29P — CID 138571871

IUPAC[3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane
SMILESCCC(C)(C)c1c(C(C)C)ccc(P)c1C(C)C
InChIInChI=1S/C17H29P/c1-8-17(6,7)16-13(11(2)3)9-10-14(18)15(16)12(4)5/h9-12H,8,18H2,1-7H3
InChIKeyVQQQIWVTRKWNRX-UHFFFAOYSA-N
MW264.39 g/mol
LogP5.12
Rot. Bonds4

About [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane

[3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane (PubChem CID 138571871) has the molecular formula C17H29P and a molecular weight of 264.39 g/mol. Its IUPAC name is [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name[3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane
PubChem CID138571871
Molecular FormulaC17H29P
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane
SMILESCCC(C)(C)c1c(C(C)C)ccc(P)c1C(C)C
InChIInChI=1S/C17H29P/c1-8-17(6,7)16-13(11(2)3)9-10-14(18)15(16)12(4)5/h9-12H,8,18H2,1-7H3
InChIKeyVQQQIWVTRKWNRX-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane?
The IUPAC name of [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane (CID 138571871) is [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane.
What is the SMILES notation for [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane?
The canonical SMILES for [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane is CCC(C)(C)c1c(C(C)C)ccc(P)c1C(C)C.
What is the InChIKey of [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane?
The InChIKey is VQQQIWVTRKWNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29P/c1-8-17(6,7)16-13(11(2)3)9-10-14(18)15(16)12(4)5/h9-12H,8,18H2,1-7H3.
What are the key properties of [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane?
[3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane has a molecular weight of 264.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane is sourced from PubChem (CID 138571871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).