trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate

C14H22O5 — CID 100933112

IUPACtrans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@]1(C=O)CCCOC1CCCCO1
InChIInChI=1S/C14H22O5/c1-17-13(16)11-9-14(11,10-15)6-4-8-19-12-5-2-3-7-18-12/h10-12H,2-9H2,1H3/t11-,12?,14-/m0/s1
InChIKeyAUCJDSNNSSEZEN-PSIKVXPXSA-N
MW270.32 g/mol
LogP1.69
Rot. Bonds7

About trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate

trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate (PubChem CID 100933112) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate
PubChem CID100933112
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Nametrans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@]1(C=O)CCCOC1CCCCO1
InChIInChI=1S/C14H22O5/c1-17-13(16)11-9-14(11,10-15)6-4-8-19-12-5-2-3-7-18-12/h10-12H,2-9H2,1H3/t11-,12?,14-/m0/s1
InChIKeyAUCJDSNNSSEZEN-PSIKVXPXSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate 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

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate
CID 10935487
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
methyl (E)-8-(oxan-2-yloxy)oct-2-enoate
CID 14937208
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid
CID 71108385
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
2-octacosoxyoxane
CID 11214102

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate (CID 100933112) is trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@]1(C=O)CCCOC1CCCCO1.
What is the InChIKey of trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate?
The InChIKey is AUCJDSNNSSEZEN-PSIKVXPXSA-N. The full InChI is InChI=1S/C14H22O5/c1-17-13(16)11-9-14(11,10-15)6-4-8-19-12-5-2-3-7-18-12/h10-12H,2-9H2,1H3/t11-,12?,14-/m0/s1.
What are the key properties of trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate?
trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate has a molecular weight of 270.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 100933112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).