cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane

C20H38NOP — CID 91068837

IUPACcyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane
SMILESCC(C)CCN=P(CCC(C)C)(CCC(C)C)OC1=CC=CC1
InChIInChI=1S/C20H38NOP/c1-17(2)11-14-21-23(15-12-18(3)4,16-13-19(5)6)22-20-9-7-8-10-20/h7-9,17-19H,10-16H2,1-6H3
InChIKeyUSLMDOWHMBGWGT-UHFFFAOYSA-N
MW339.50 g/mol
LogP7.10
Rot. Bonds11

About cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane (PubChem CID 91068837) has the molecular formula C20H38NOP and a molecular weight of 339.50 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane
PubChem CID91068837
Molecular FormulaC20H38NOP
Molecular Weight339.50 g/mol
Exact Mass339.27
IUPAC Namecyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane
SMILESCC(C)CCN=P(CCC(C)C)(CCC(C)C)OC1=CC=CC1
InChIInChI=1S/C20H38NOP/c1-17(2)11-14-21-23(15-12-18(3)4,16-13-19(5)6)22-20-9-7-8-10-20/h7-9,17-19H,10-16H2,1-6H3
InChIKeyUSLMDOWHMBGWGT-UHFFFAOYSA-N
XLogP7.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 57.10
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 cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane (CID 91068837) is cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane is CC(C)CCN=P(CCC(C)C)(CCC(C)C)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane?
The InChIKey is USLMDOWHMBGWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38NOP/c1-17(2)11-14-21-23(15-12-18(3)4,16-13-19(5)6)22-20-9-7-8-10-20/h7-9,17-19H,10-16H2,1-6H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane has a molecular weight of 339.50 g/mol, XLogP of 7.10, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yloxy-bis(3-methylbutyl)-(3-methylbutylimino)-λ5-phosphane is sourced from PubChem (CID 91068837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).