(2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal

C10H16O3 — CID 11389785

IUPAC(2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal
SMILESCOC1C=C[C@H](C)[C@@H]([C@@H](C)C=O)O1
InChIInChI=1S/C10H16O3/c1-7-4-5-9(12-3)13-10(7)8(2)6-11/h4-10H,1-3H3/t7-,8-,9?,10-/m0/s1
InChIKeyTWJBLAVMXXEJLU-HQRIKABESA-N
MW184.23 g/mol
LogP1.38
Rot. Bonds3

About (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal

(2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal (PubChem CID 11389785) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal
PubChem CID11389785
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal
SMILESCOC1C=C[C@H](C)[C@@H]([C@@H](C)C=O)O1
InChIInChI=1S/C10H16O3/c1-7-4-5-9(12-3)13-10(7)8(2)6-11/h4-10H,1-3H3/t7-,8-,9?,10-/m0/s1
InChIKeyTWJBLAVMXXEJLU-HQRIKABESA-N
XLogP1.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 10965201
6-Ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 20571373
6-Methoxy-6-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde
CID 87550013
(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienal
CID 11087628
(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal
CID 11150636
(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienal
CID 11174258
1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one
CID 11252604
(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienal
CID 11818660
(2R)-2-[(2R,4R,5S,6S)-2,5-dimethyl-6-[(E)-prop-1-enyl]-1,3-dioxan-4-yl]propanal
CID 15280454
(2R,3S)-3-(1-ethoxyethoxy)-2-methylhex-5-enal
CID 50900157
(3R,4E,6E)-5-ethyl-3-methyl-7-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienal
CID 100917586
(3S,4Z,6E)-5-ethyl-3-methyl-7-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienal
CID 101082468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal?
The IUPAC name of (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal (CID 11389785) is (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal is COC1C=C[C@H](C)[C@@H]([C@@H](C)C=O)O1.
What is the InChIKey of (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal?
The InChIKey is TWJBLAVMXXEJLU-HQRIKABESA-N. The full InChI is InChI=1S/C10H16O3/c1-7-4-5-9(12-3)13-10(7)8(2)6-11/h4-10H,1-3H3/t7-,8-,9?,10-/m0/s1.
What are the key properties of (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal?
(2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal has a molecular weight of 184.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3S)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]propanal is sourced from PubChem (CID 11389785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).