[[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane

C34H38OP2 — CID 88626642

IUPAC[[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane
SMILESCCOC1C(C(P)(c2ccccc2)c2ccccc2)C(C(P)(c2ccccc2)c2ccccc2)C1(C)C
InChIInChI=1S/C34H38OP2/c1-4-35-31-29(33(36,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(32(31,2)3)34(37,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-31H,4,36-37H2,1-3H3
InChIKeyWDDDZIGHDUPFLZ-UHFFFAOYSA-N
MW524.63 g/mol
LogP8.30
Rot. Bonds8

About [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane

[[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane (PubChem CID 88626642) has the molecular formula C34H38OP2 and a molecular weight of 524.63 g/mol. Its IUPAC name is [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane.

Molecular Properties

Compound Name[[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane
PubChem CID88626642
Molecular FormulaC34H38OP2
Molecular Weight524.63 g/mol
Exact Mass524.24
IUPAC Name[[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane
SMILESCCOC1C(C(P)(c2ccccc2)c2ccccc2)C(C(P)(c2ccccc2)c2ccccc2)C1(C)C
InChIInChI=1S/C34H38OP2/c1-4-35-31-29(33(36,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(32(31,2)3)34(37,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-31H,4,36-37H2,1-3H3
InChIKeyWDDDZIGHDUPFLZ-UHFFFAOYSA-N
XLogP8.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane?
The IUPAC name of [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane (CID 88626642) is [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane.
What is the SMILES notation for [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane?
The canonical SMILES for [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane is CCOC1C(C(P)(c2ccccc2)c2ccccc2)C(C(P)(c2ccccc2)c2ccccc2)C1(C)C.
What is the InChIKey of [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane?
The InChIKey is WDDDZIGHDUPFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38OP2/c1-4-35-31-29(33(36,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(32(31,2)3)34(37,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-31H,4,36-37H2,1-3H3.
What are the key properties of [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane?
[[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane has a molecular weight of 524.63 g/mol, XLogP of 8.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[diphenyl(phosphanyl)methyl]-4-ethoxy-3,3-dimethylcyclobutyl]-diphenylmethyl]phosphane is sourced from PubChem (CID 88626642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).