dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane

C9H15P — CID 57412195

IUPACdimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane
SMILESCP(C)C1(C)C=CCC=C1
InChIInChI=1S/C9H15P/c1-9(10(2)3)7-5-4-6-8-9/h5-8H,4H2,1-3H3
InChIKeyUITYTWWVSDFOJU-UHFFFAOYSA-N
MW154.19 g/mol
LogP3.00
Rot. Bonds1

About dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane

dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane (PubChem CID 57412195) has the molecular formula C9H15P and a molecular weight of 154.19 g/mol. Its IUPAC name is dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane.

Molecular Properties

Compound Namedimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane
PubChem CID57412195
Molecular FormulaC9H15P
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Namedimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane
SMILESCP(C)C1(C)C=CCC=C1
InChIInChI=1S/C9H15P/c1-9(10(2)3)7-5-4-6-8-9/h5-8H,4H2,1-3H3
InChIKeyUITYTWWVSDFOJU-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane?
The IUPAC name of dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane (CID 57412195) is dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane.
What is the SMILES notation for dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane?
The canonical SMILES for dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane is CP(C)C1(C)C=CCC=C1.
What is the InChIKey of dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane?
The InChIKey is UITYTWWVSDFOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15P/c1-9(10(2)3)7-5-4-6-8-9/h5-8H,4H2,1-3H3.
What are the key properties of dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane?
dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane has a molecular weight of 154.19 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-methylcyclohexa-2,5-dien-1-yl)phosphane is sourced from PubChem (CID 57412195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).