cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane

C20H38NOP — CID 91193259

IUPACcyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane
SMILESCC(C)(C)CN=P(CC(C)(C)C)(CC(C)(C)C)OC1=CC=CC1
InChIInChI=1S/C20H38NOP/c1-18(2,3)14-21-23(15-19(4,5)6,16-20(7,8)9)22-17-12-10-11-13-17/h10-12H,13-16H2,1-9H3
InChIKeyFORQKQOQPRCMQZ-UHFFFAOYSA-N
MW339.50 g/mol
LogP7.10
Rot. Bonds5

About cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane (PubChem CID 91193259) 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(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane
PubChem CID91193259
Molecular FormulaC20H38NOP
Molecular Weight339.50 g/mol
Exact Mass339.27
IUPAC Namecyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane
SMILESCC(C)(C)CN=P(CC(C)(C)C)(CC(C)(C)C)OC1=CC=CC1
InChIInChI=1S/C20H38NOP/c1-18(2,3)14-21-23(15-19(4,5)6,16-20(7,8)9)22-17-12-10-11-13-17/h10-12H,13-16H2,1-9H3
InChIKeyFORQKQOQPRCMQZ-UHFFFAOYSA-N
XLogP7.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane (CID 91193259) is cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane is CC(C)(C)CN=P(CC(C)(C)C)(CC(C)(C)C)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane?
The InChIKey is FORQKQOQPRCMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38NOP/c1-18(2,3)14-21-23(15-19(4,5)6,16-20(7,8)9)22-17-12-10-11-13-17/h10-12H,13-16H2,1-9H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-bis(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane has a molecular weight of 339.50 g/mol, XLogP of 7.10, 5 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(2,2-dimethylpropyl)-(2,2-dimethylpropylimino)-λ5-phosphane is sourced from PubChem (CID 91193259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).