tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate

C14H27O5P — CID 11808932

IUPACtert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate
SMILESCCOP(=O)(OCC)C1(C(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C14H27O5P/c1-6-17-20(16,18-7-2)14(10-8-9-11-14)12(15)19-13(3,4)5/h6-11H2,1-5H3
InChIKeyOLIKFHXKJGCIIY-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.91
Rot. Bonds6

About tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate

tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate (PubChem CID 11808932) has the molecular formula C14H27O5P and a molecular weight of 306.34 g/mol. Its IUPAC name is tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate
PubChem CID11808932
Molecular FormulaC14H27O5P
Molecular Weight306.34 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate
SMILESCCOP(=O)(OCC)C1(C(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C14H27O5P/c1-6-17-20(16,18-7-2)14(10-8-9-11-14)12(15)19-13(3,4)5/h6-11H2,1-5H3
InChIKeyOLIKFHXKJGCIIY-UHFFFAOYSA-N
XLogP3.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azanium 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 2840419
tert-butyl N-[(1R)-1-diethoxyphosphoryl-2-oxocyclohexyl]oxycarbamate
CID 135025425
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate
CID 10926216
tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
CID 102390460
tert-butyl 1-butylcyclohexane-1-carboxylate
CID 150671065
methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate
CID 110192724
tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
CID 143355257
tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate
CID 93046626
trans-tert-butyl (1R,2R)-1-amino-2-ethylcyclohexane-1-carboxylate
CID 125426213

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate (CID 11808932) is tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate is CCOP(=O)(OCC)C1(C(=O)OC(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate?
The InChIKey is OLIKFHXKJGCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O5P/c1-6-17-20(16,18-7-2)14(10-8-9-11-14)12(15)19-13(3,4)5/h6-11H2,1-5H3.
What are the key properties of tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate?
tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate is sourced from PubChem (CID 11808932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).