(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane

C41H58O4P2 — CID 20688088

IUPAC(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane
SMILESCC(CC(C)OPOc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C)OPOc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C
InChIInChI=1S/C41H58O4P2/c1-26(42-46-44-36-24-28-15-17-32(38(3,4)5)20-30(28)22-34(36)40(9,10)11)19-27(2)43-47-45-37-25-29-16-18-33(39(6,7)8)21-31(29)23-35(37)41(12,13)14/h15-18,20-27,46-47H,19H2,1-14H3
InChIKeyRVOPRMJMIIUBMM-UHFFFAOYSA-N
MW676.86 g/mol
LogP12.86
Rot. Bonds10

About (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane

(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane (PubChem CID 20688088) has the molecular formula C41H58O4P2 and a molecular weight of 676.86 g/mol. Its IUPAC name is (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane.

Molecular Properties

Compound Name(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane
PubChem CID20688088
Molecular FormulaC41H58O4P2
Molecular Weight676.86 g/mol
Exact Mass676.38
IUPAC Name(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane
SMILESCC(CC(C)OPOc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C)OPOc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C
InChIInChI=1S/C41H58O4P2/c1-26(42-46-44-36-24-28-15-17-32(38(3,4)5)20-30(28)22-34(36)40(9,10)11)19-27(2)43-47-45-37-25-29-16-18-33(39(6,7)8)21-31(29)23-35(37)41(12,13)14/h15-18,20-27,46-47H,19H2,1-14H3
InChIKeyRVOPRMJMIIUBMM-UHFFFAOYSA-N
XLogP12.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane?
The IUPAC name of (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane (CID 20688088) is (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane.
What is the SMILES notation for (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane?
The canonical SMILES for (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane is CC(CC(C)OPOc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C)OPOc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C.
What is the InChIKey of (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane?
The InChIKey is RVOPRMJMIIUBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H58O4P2/c1-26(42-46-44-36-24-28-15-17-32(38(3,4)5)20-30(28)22-34(36)40(9,10)11)19-27(2)43-47-45-37-25-29-16-18-33(39(6,7)8)21-31(29)23-35(37)41(12,13)14/h15-18,20-27,46-47H,19H2,1-14H3.
What are the key properties of (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane?
(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane has a molecular weight of 676.86 g/mol, XLogP of 12.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane is sourced from PubChem (CID 20688088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).