(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde

C7H12O3 — CID 93496295

IUPAC(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde
SMILESCO[C@H]1C[C@H](C=O)[C@H](C)O1
InChIInChI=1S/C7H12O3/c1-5-6(4-8)3-7(9-2)10-5/h4-7H,3H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyHWTOMCWXNNJTIY-RRKCRQDMSA-N
MW144.17 g/mol
LogP0.58
Rot. Bonds2

About (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde

(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde (PubChem CID 93496295) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde
PubChem CID93496295
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde
SMILESCO[C@H]1C[C@H](C=O)[C@H](C)O1
InChIInChI=1S/C7H12O3/c1-5-6(4-8)3-7(9-2)10-5/h4-7H,3H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyHWTOMCWXNNJTIY-RRKCRQDMSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 14015997
5-methoxy-2-methyloxolan-3-amine
CID 163994899
(1R,2R,4R,6S)-4-methoxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 12817977
(1R,2S,4R,6S)-4-methoxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 131885979
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(6-methoxy-2,4-dimethyloxan-3-yl) acetate
CID 20577444
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
CID 130909521
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(3aR,6S,7aR)-6-methoxy-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 138983814
N-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
CID 130754519

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde?
The IUPAC name of (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde (CID 93496295) is (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde.
What is the SMILES notation for (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde?
The canonical SMILES for (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde is CO[C@H]1C[C@H](C=O)[C@H](C)O1.
What is the InChIKey of (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde?
The InChIKey is HWTOMCWXNNJTIY-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-6(4-8)3-7(9-2)10-5/h4-7H,3H2,1-2H3/t5-,6+,7+/m0/s1.
What are the key properties of (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde?
(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde is sourced from PubChem (CID 93496295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).