cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane

C8H14NOP — CID 90783776

IUPACcyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane
SMILESCN=P(C)(C)OC1=CC=CC1
InChIInChI=1S/C8H14NOP/c1-9-11(2,3)10-8-6-4-5-7-8/h4-6H,7H2,1-3H3
InChIKeyVTNVHXSBGMMDES-UHFFFAOYSA-N
MW171.18 g/mol
LogP2.85
Rot. Bonds2

About cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane (PubChem CID 90783776) has the molecular formula C8H14NOP and a molecular weight of 171.18 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane
PubChem CID90783776
Molecular FormulaC8H14NOP
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Namecyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane
SMILESCN=P(C)(C)OC1=CC=CC1
InChIInChI=1S/C8H14NOP/c1-9-11(2,3)10-8-6-4-5-7-8/h4-6H,7H2,1-3H3
InChIKeyVTNVHXSBGMMDES-UHFFFAOYSA-N
XLogP2.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 52.85
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-dimethyl-methylimino-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane (CID 90783776) is cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane is CN=P(C)(C)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane?
The InChIKey is VTNVHXSBGMMDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NOP/c1-9-11(2,3)10-8-6-4-5-7-8/h4-6H,7H2,1-3H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-dimethyl-methylimino-λ5-phosphane has a molecular weight of 171.18 g/mol, XLogP of 2.85, 2 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-dimethyl-methylimino-λ5-phosphane is sourced from PubChem (CID 90783776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).