2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran

C13H24O2 — CID 86227518

IUPAC2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCCCCOC1CC(C(C)C)C=C(C)O1
InChIInChI=1S/C13H24O2/c1-5-6-7-14-13-9-12(10(2)3)8-11(4)15-13/h8,10,12-13H,5-7,9H2,1-4H3
InChIKeyQOBWDUUGIDDPTP-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.73
Rot. Bonds5

About 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran

2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 86227518) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID86227518
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCCCCOC1CC(C(C)C)C=C(C)O1
InChIInChI=1S/C13H24O2/c1-5-6-7-14-13-9-12(10(2)3)8-11(4)15-13/h8,10,12-13H,5-7,9H2,1-4H3
InChIKeyQOBWDUUGIDDPTP-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran
CID 10442781
2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 4231587
(2S,4R)-2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 6668413
(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one
CID 14667618
[2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
CID 4564283
(3R,4S,6R)-6-butoxyoxane-3,4-diol
CID 101388444
2-butoxy-4-propan-2-yl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 90112481
(2S,3R,6S)-3,4,5-tributoxy-2-methyl-6-propan-2-yloxane
CID 71163839
2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 11402786
(4R)-4-nonoxyoxetan-2-one
CID 175477617
(4R)-2-butoxy-4-methyloxolane
CID 11789482
(2R,4S)-2-butoxy-4-ethyloxolane
CID 131848104

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran (CID 86227518) is 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran is CCCCOC1CC(C(C)C)C=C(C)O1.
What is the InChIKey of 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is QOBWDUUGIDDPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-6-7-14-13-9-12(10(2)3)8-11(4)15-13/h8,10,12-13H,5-7,9H2,1-4H3.
What are the key properties of 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran?
2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 212.33 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 86227518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).