(3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol

C10H16O3 — CID 67784751

IUPAC(3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol
SMILESCC(CO)[C@H](C)O[C@H]1C=CC=CO1
InChIInChI=1S/C10H16O3/c1-8(7-11)9(2)13-10-5-3-4-6-12-10/h3-6,8-11H,7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyMUNIRYMXYAFGNP-AGROOBSYSA-N
MW184.24 g/mol
LogP1.45
Rot. Bonds4

About (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol

(3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol (PubChem CID 67784751) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol.

Molecular Properties

Compound Name(3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol
PubChem CID67784751
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol
SMILESCC(CO)[C@H](C)O[C@H]1C=CC=CO1
InChIInChI=1S/C10H16O3/c1-8(7-11)9(2)13-10-5-3-4-6-12-10/h3-6,8-11H,7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyMUNIRYMXYAFGNP-AGROOBSYSA-N
XLogP1.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol?
The IUPAC name of (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol (CID 67784751) is (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol.
What is the SMILES notation for (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol?
The canonical SMILES for (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol is CC(CO)[C@H](C)O[C@H]1C=CC=CO1.
What is the InChIKey of (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol?
The InChIKey is MUNIRYMXYAFGNP-AGROOBSYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(7-11)9(2)13-10-5-3-4-6-12-10/h3-6,8-11H,7H2,1-2H3/t8?,9-,10-/m0/s1.
What are the key properties of (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol?
(3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol is sourced from PubChem (CID 67784751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).