(2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran

C10H18O3 — CID 18396268

IUPAC(2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran
SMILESCCO[C@H]1[C@H](C)OC=C[C@@H]1OCC
InChIInChI=1S/C10H18O3/c1-4-11-9-6-7-13-8(3)10(9)12-5-2/h6-10H,4-5H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeySUKJOKJYGQKUAY-GUBZILKMSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds4

About (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran

(2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran (PubChem CID 18396268) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran
PubChem CID18396268
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran
SMILESCCO[C@H]1[C@H](C)OC=C[C@@H]1OCC
InChIInChI=1S/C10H18O3/c1-4-11-9-6-7-13-8(3)10(9)12-5-2/h6-10H,4-5H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeySUKJOKJYGQKUAY-GUBZILKMSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran (CID 18396268) is (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran is CCO[C@H]1[C@H](C)OC=C[C@@H]1OCC.
What is the InChIKey of (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran?
The InChIKey is SUKJOKJYGQKUAY-GUBZILKMSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-11-9-6-7-13-8(3)10(9)12-5-2/h6-10H,4-5H2,1-3H3/t8-,9-,10-/m0/s1.
What are the key properties of (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran?
(2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran has a molecular weight of 186.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3,4-diethoxy-2-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 18396268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).