(1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane

C11H19O3P — CID 11053418

IUPAC(1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane
SMILESC=C1CCC/C1=C\P(=O)(OCC)OCC
InChIInChI=1S/C11H19O3P/c1-4-13-15(12,14-5-2)9-11-8-6-7-10(11)3/h9H,3-8H2,1-2H3/b11-9+
InChIKeyOKPFVWSERDWVTM-PKNBQFBNSA-N
MW230.24 g/mol
LogP3.88
Rot. Bonds5

About (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane

(1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane (PubChem CID 11053418) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane.

Molecular Properties

Compound Name(1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane
PubChem CID11053418
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name(1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane
SMILESC=C1CCC/C1=C\P(=O)(OCC)OCC
InChIInChI=1S/C11H19O3P/c1-4-13-15(12,14-5-2)9-11-8-6-7-10(11)3/h9H,3-8H2,1-2H3/b11-9+
InChIKeyOKPFVWSERDWVTM-PKNBQFBNSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butoxy-4-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide
CID 312437
Diethoxyphosphorylmethylidenecyclohexane
CID 12860450
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methyloct-1-ene
CID 10849072
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
(E)-1-diethoxyphosphoryl-2-methylbut-1-ene
CID 134894960
(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane
CID 101027985
4-Diethoxyphosphoryl-2-methylbut-1-ene
CID 11264218
5-Diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
(1E)-1-diethoxyphosphoryl-2-methylbuta-1,3-diene
CID 12860731

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane?
The IUPAC name of (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane (CID 11053418) is (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane.
What is the SMILES notation for (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane?
The canonical SMILES for (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane is C=C1CCC/C1=C\P(=O)(OCC)OCC.
What is the InChIKey of (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane?
The InChIKey is OKPFVWSERDWVTM-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H19O3P/c1-4-13-15(12,14-5-2)9-11-8-6-7-10(11)3/h9H,3-8H2,1-2H3/b11-9+.
What are the key properties of (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane?
(1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane has a molecular weight of 230.24 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(diethoxyphosphorylmethylidene)-2-methylidenecyclopentane is sourced from PubChem (CID 11053418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).