(2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran

C8H14O3 — CID 11977011

IUPAC(2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran
SMILESCOCOC[C@@H]1CC=CCO1
InChIInChI=1S/C8H14O3/c1-9-7-10-6-8-4-2-3-5-11-8/h2-3,8H,4-7H2,1H3/t8-/m0/s1
InChIKeyWHGGESBGQZMASA-QMMMGPOBSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds4

About (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran

(2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 11977011) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran
PubChem CID11977011
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran
SMILESCOCOC[C@@H]1CC=CCO1
InChIInChI=1S/C8H14O3/c1-9-7-10-6-8-4-2-3-5-11-8/h2-3,8H,4-7H2,1H3/t8-/m0/s1
InChIKeyWHGGESBGQZMASA-QMMMGPOBSA-N
XLogP0.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
2-(methoxymethylperoxymethoxymethyl)oxirane
CID 59281856
(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine
CID 11977040
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039
2-(methoxymethoxymethyl)-3-methyloxirane
CID 88561796
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
tert-butyl 4-[[(2S)-3,6-dihydro-2H-pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 66895101
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
CID 124672672
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran (CID 11977011) is (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran is COCOC[C@@H]1CC=CCO1.
What is the InChIKey of (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is WHGGESBGQZMASA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O3/c1-9-7-10-6-8-4-2-3-5-11-8/h2-3,8H,4-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran?
(2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 158.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11977011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).