2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran

C13H24O3 — CID 25257640

IUPAC2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran
SMILESCOCOCC[C@H](C)CC1CC(C)=CCO1
InChIInChI=1S/C13H24O3/c1-11(4-6-15-10-14-3)8-13-9-12(2)5-7-16-13/h5,11,13H,4,6-10H2,1-3H3/t11-,13?/m0/s1
InChIKeyLNXHSULDKQAALE-AMGKYWFPSA-N
MW228.33 g/mol
LogP2.76
Rot. Bonds7

About 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran

2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 25257640) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran
PubChem CID25257640
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran
SMILESCOCOCC[C@H](C)CC1CC(C)=CCO1
InChIInChI=1S/C13H24O3/c1-11(4-6-15-10-14-3)8-13-9-12(2)5-7-16-13/h5,11,13H,4,6-10H2,1-3H3/t11-,13?/m0/s1
InChIKeyLNXHSULDKQAALE-AMGKYWFPSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.76
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

3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
(2R,3S,4R,6R)-2-ethenyl-3-ethyl-4-(methoxymethoxy)-6-[(E,2S,3R,4S)-3-methoxy-4-methyloct-6-en-2-yl]oxane
CID 46855104
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637
[(2S,5S,6R)-2,4-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-5-yl]methyl acetate
CID 135041025
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
7-Methoxymethoxy-1,2,3,4,4a,5,6,7-octahydro-naphthalene
CID 542594
2-butoxy-3-hexyl-3,6-dihydro-2H-pyran
CID 19915123
4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran
CID 23154689
(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane
CID 58241354
(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran
CID 59026964
(2S,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane
CID 68331063

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran (CID 25257640) is 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran is COCOCC[C@H](C)CC1CC(C)=CCO1.
What is the InChIKey of 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is LNXHSULDKQAALE-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H24O3/c1-11(4-6-15-10-14-3)8-13-9-12(2)5-7-16-13/h5,11,13H,4,6-10H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran?
2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 228.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 25257640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).