(2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal

C14H26O5 — CID 162416214

IUPAC(2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC[C@@H](OCOC)C1(C)OC(C)(C)O[C@@H]1[C@@H](C)C=O
InChIInChI=1S/C14H26O5/c1-7-11(17-9-16-6)14(5)12(10(2)8-15)18-13(3,4)19-14/h8,10-12H,7,9H2,1-6H3/t10-,11+,12+,14?/m0/s1
InChIKeyBVKCHDGVWARBNJ-JVMKAEFSSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds7

About (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal

(2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal (PubChem CID 162416214) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal
PubChem CID162416214
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name(2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC[C@@H](OCOC)C1(C)OC(C)(C)O[C@@H]1[C@@H](C)C=O
InChIInChI=1S/C14H26O5/c1-7-11(17-9-16-6)14(5)12(10(2)8-15)18-13(3,4)19-14/h8,10-12H,7,9H2,1-6H3/t10-,11+,12+,14?/m0/s1
InChIKeyBVKCHDGVWARBNJ-JVMKAEFSSA-N
XLogP2.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal?
The IUPAC name of (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal (CID 162416214) is (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal.
What is the SMILES notation for (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal?
The canonical SMILES for (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal is CC[C@@H](OCOC)C1(C)OC(C)(C)O[C@@H]1[C@@H](C)C=O.
What is the InChIKey of (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal?
The InChIKey is BVKCHDGVWARBNJ-JVMKAEFSSA-N. The full InChI is InChI=1S/C14H26O5/c1-7-11(17-9-16-6)14(5)12(10(2)8-15)18-13(3,4)19-14/h8,10-12H,7,9H2,1-6H3/t10-,11+,12+,14?/m0/s1.
What are the key properties of (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal?
(2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal has a molecular weight of 274.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal is sourced from PubChem (CID 162416214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).