3-di(propan-2-yloxy)phosphorylcyclopentene

C11H21O3P — CID 15811703

IUPAC3-di(propan-2-yloxy)phosphorylcyclopentene
SMILESCC(C)OP(=O)(OC(C)C)C1C=CCC1
InChIInChI=1S/C11H21O3P/c1-9(2)13-15(12,14-10(3)4)11-7-5-6-8-11/h5,7,9-11H,6,8H2,1-4H3
InChIKeyNAMYBVRFYCFZPS-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.75
Rot. Bonds5

About 3-di(propan-2-yloxy)phosphorylcyclopentene

3-di(propan-2-yloxy)phosphorylcyclopentene (PubChem CID 15811703) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-di(propan-2-yloxy)phosphorylcyclopentene.

Molecular Properties

Compound Name3-di(propan-2-yloxy)phosphorylcyclopentene
PubChem CID15811703
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name3-di(propan-2-yloxy)phosphorylcyclopentene
SMILESCC(C)OP(=O)(OC(C)C)C1C=CCC1
InChIInChI=1S/C11H21O3P/c1-9(2)13-15(12,14-10(3)4)11-7-5-6-8-11/h5,7,9-11H,6,8H2,1-4H3
InChIKeyNAMYBVRFYCFZPS-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
5-[Fluoro(propan-2-yloxy)phosphoryl]pent-2-ene
CID 129695322
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
4-Diethoxyphosphorylcyclohexene
CID 85519806
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhex-1-ene
CID 10466042
Diethoxyphosphorylcyclopentene
CID 10774533
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036
methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid
CID 90684381
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11287176
diethyl [(Z,2S)-oct-3-en-2-yl] phosphate
CID 46850470

Frequently Asked Questions

What is the IUPAC name of 3-di(propan-2-yloxy)phosphorylcyclopentene?
The IUPAC name of 3-di(propan-2-yloxy)phosphorylcyclopentene (CID 15811703) is 3-di(propan-2-yloxy)phosphorylcyclopentene.
What is the SMILES notation for 3-di(propan-2-yloxy)phosphorylcyclopentene?
The canonical SMILES for 3-di(propan-2-yloxy)phosphorylcyclopentene is CC(C)OP(=O)(OC(C)C)C1C=CCC1.
What is the InChIKey of 3-di(propan-2-yloxy)phosphorylcyclopentene?
The InChIKey is NAMYBVRFYCFZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-9(2)13-15(12,14-10(3)4)11-7-5-6-8-11/h5,7,9-11H,6,8H2,1-4H3.
What are the key properties of 3-di(propan-2-yloxy)phosphorylcyclopentene?
3-di(propan-2-yloxy)phosphorylcyclopentene has a molecular weight of 232.26 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yloxy)phosphorylcyclopentene is sourced from PubChem (CID 15811703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).