cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium

C12H20O7P+ — CID 154356648

IUPACcyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium
SMILESCC(C)(OC=O)O[P+](=O)OCOC(=O)C1CCCCC1
InChIInChI=1S/C12H20O7P/c1-12(2,17-8-13)19-20(15)18-9-16-11(14)10-6-4-3-5-7-10/h8,10H,3-7,9H2,1-2H3/q+1
InChIKeyZPBZJSWSLAXWHB-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.67
Rot. Bonds8

About cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium

cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium (PubChem CID 154356648) has the molecular formula C12H20O7P+ and a molecular weight of 307.26 g/mol. Its IUPAC name is cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium.

Molecular Properties

Compound Namecyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium
PubChem CID154356648
Molecular FormulaC12H20O7P+
Molecular Weight307.26 g/mol
Exact Mass307.09
IUPAC Namecyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium
SMILESCC(C)(OC=O)O[P+](=O)OCOC(=O)C1CCCCC1
InChIInChI=1S/C12H20O7P/c1-12(2,17-8-13)19-20(15)18-9-16-11(14)10-6-4-3-5-7-10/h8,10H,3-7,9H2,1-2H3/q+1
InChIKeyZPBZJSWSLAXWHB-UHFFFAOYSA-N
XLogP2.67
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyethoxymethyl cyclohexanecarboxylate
CID 11287380
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
(2-methyl-1-oxopropan-2-yl) cyclohexanecarboxylate
CID 127262385
3,6-dioxoheptan-2-ylsulfanylcarbonyloxymethyl cyclohexanecarboxylate
CID 157372433
prop-2-enyl cyclododecanecarboxylate
CID 139624721
2,2-bis(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 15607732
[2-(cyclopentanecarbonyloxymethyl)-2-(formyloxymethyl)butyl] cyclopentanecarboxylate
CID 23158847
tert-butyl cyclododecanecarboxylate
CID 154013086
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate
CID 118696020
hydroxymethyl cyclobutanecarboxylate
CID 137371714
2-acetamido-3-(cyclohexanecarbonyloxymethoxycarbonylsulfanyl)-3-methylbutanoic acid
CID 129066228

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium?
The IUPAC name of cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium (CID 154356648) is cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium.
What is the SMILES notation for cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium?
The canonical SMILES for cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium is CC(C)(OC=O)O[P+](=O)OCOC(=O)C1CCCCC1.
What is the InChIKey of cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium?
The InChIKey is ZPBZJSWSLAXWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7P/c1-12(2,17-8-13)19-20(15)18-9-16-11(14)10-6-4-3-5-7-10/h8,10H,3-7,9H2,1-2H3/q+1.
What are the key properties of cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium?
cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium has a molecular weight of 307.26 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbonyloxymethoxy-(2-formyloxypropan-2-yloxy)-oxophosphanium is sourced from PubChem (CID 154356648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).