(2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran

C15H28O2 — CID 11776457

IUPAC(2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran
SMILESC[C@H](COC(C)(C)C)CC1=C[C@H](C)C[C@H](C)O1
InChIInChI=1S/C15H28O2/c1-11-7-13(3)17-14(8-11)9-12(2)10-16-15(4,5)6/h8,11-13H,7,9-10H2,1-6H3/t11-,12+,13+/m1/s1
InChIKeyGGWJJNQTFXCSFH-AGIUHOORSA-N
MW240.39 g/mol
LogP4.16
Rot. Bonds4

About (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran

(2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran (PubChem CID 11776457) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran
PubChem CID11776457
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran
SMILESC[C@H](COC(C)(C)C)CC1=C[C@H](C)C[C@H](C)O1
InChIInChI=1S/C15H28O2/c1-11-7-13(3)17-14(8-11)9-12(2)10-16-15(4,5)6/h8,11-13H,7,9-10H2,1-6H3/t11-,12+,13+/m1/s1
InChIKeyGGWJJNQTFXCSFH-AGIUHOORSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran (CID 11776457) is (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran is C[C@H](COC(C)(C)C)CC1=C[C@H](C)C[C@H](C)O1.
What is the InChIKey of (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran?
The InChIKey is GGWJJNQTFXCSFH-AGIUHOORSA-N. The full InChI is InChI=1S/C15H28O2/c1-11-7-13(3)17-14(8-11)9-12(2)10-16-15(4,5)6/h8,11-13H,7,9-10H2,1-6H3/t11-,12+,13+/m1/s1.
What are the key properties of (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran?
(2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran has a molecular weight of 240.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-dimethyl-6-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11776457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).