[3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane

C26H40O2P2 — CID 142937690

IUPAC[3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane
SMILESCc1c(C(C)C)cc(C(C)C)c(OP)c1-c1c(C)c(C(C)C)cc(C(C)C)c1OP
InChIInChI=1S/C26H40O2P2/c1-13(2)19-11-21(15(5)6)25(27-29)23(17(19)9)24-18(10)20(14(3)4)12-22(16(7)8)26(24)28-30/h11-16H,29-30H2,1-10H3
InChIKeyJXDJHHGDGZQHQB-UHFFFAOYSA-N
MW446.55 g/mol
LogP8.80
Rot. Bonds7

About [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane

[3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane (PubChem CID 142937690) has the molecular formula C26H40O2P2 and a molecular weight of 446.55 g/mol. Its IUPAC name is [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane.

Molecular Properties

Compound Name[3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane
PubChem CID142937690
Molecular FormulaC26H40O2P2
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC Name[3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane
SMILESCc1c(C(C)C)cc(C(C)C)c(OP)c1-c1c(C)c(C(C)C)cc(C(C)C)c1OP
InChIInChI=1S/C26H40O2P2/c1-13(2)19-11-21(15(5)6)25(27-29)23(17(19)9)24-18(10)20(14(3)4)12-22(16(7)8)26(24)28-30/h11-16H,29-30H2,1-10H3
InChIKeyJXDJHHGDGZQHQB-UHFFFAOYSA-N
XLogP8.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane?
The IUPAC name of [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane (CID 142937690) is [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane.
What is the SMILES notation for [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane?
The canonical SMILES for [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane is Cc1c(C(C)C)cc(C(C)C)c(OP)c1-c1c(C)c(C(C)C)cc(C(C)C)c1OP.
What is the InChIKey of [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane?
The InChIKey is JXDJHHGDGZQHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2P2/c1-13(2)19-11-21(15(5)6)25(27-29)23(17(19)9)24-18(10)20(14(3)4)12-22(16(7)8)26(24)28-30/h11-16H,29-30H2,1-10H3.
What are the key properties of [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane?
[3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane has a molecular weight of 446.55 g/mol, XLogP of 8.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[2-methyl-6-phosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane is sourced from PubChem (CID 142937690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).