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

C12H22O3 — CID 18396270

IUPAC(2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran
SMILESCCCO[C@H]1[C@H](C)OC=C[C@@H]1OCCC
InChIInChI=1S/C12H22O3/c1-4-7-14-11-6-9-13-10(3)12(11)15-8-5-2/h6,9-12H,4-5,7-8H2,1-3H3/t10-,11-,12-/m0/s1
InChIKeyMIIFATCSTXWVIA-SRVKXCTJSA-N
MW214.30 g/mol
LogP2.51
Rot. Bonds6

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

(2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran (PubChem CID 18396270) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran
PubChem CID18396270
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran
SMILESCCCO[C@H]1[C@H](C)OC=C[C@@H]1OCCC
InChIInChI=1S/C12H22O3/c1-4-7-14-11-6-9-13-10(3)12(11)15-8-5-2/h6,9-12H,4-5,7-8H2,1-3H3/t10-,11-,12-/m0/s1
InChIKeyMIIFATCSTXWVIA-SRVKXCTJSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran (CID 18396270) is (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran is CCCO[C@H]1[C@H](C)OC=C[C@@H]1OCCC.
What is the InChIKey of (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran?
The InChIKey is MIIFATCSTXWVIA-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-7-14-11-6-9-13-10(3)12(11)15-8-5-2/h6,9-12H,4-5,7-8H2,1-3H3/t10-,11-,12-/m0/s1.
What are the key properties of (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran?
(2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran has a molecular weight of 214.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-methyl-3,4-dipropoxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 18396270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).