(3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran

C7H12O3 — CID 131848834

IUPAC(3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran
SMILESCO[C@H]1C=COC[C@H]1OC
InChIInChI=1S/C7H12O3/c1-8-6-3-4-10-5-7(6)9-2/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1
InChIKeyYVVLBMSVIDQHKH-NKWVEPMBSA-N
MW144.17 g/mol
LogP0.56
Rot. Bonds2

About (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran

(3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran (PubChem CID 131848834) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran
PubChem CID131848834
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran
SMILESCO[C@H]1C=COC[C@H]1OC
InChIInChI=1S/C7H12O3/c1-8-6-3-4-10-5-7(6)9-2/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1
InChIKeyYVVLBMSVIDQHKH-NKWVEPMBSA-N
XLogP0.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran?
The IUPAC name of (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran (CID 131848834) is (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran.
What is the SMILES notation for (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran?
The canonical SMILES for (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran is CO[C@H]1C=COC[C@H]1OC.
What is the InChIKey of (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran?
The InChIKey is YVVLBMSVIDQHKH-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H12O3/c1-8-6-3-4-10-5-7(6)9-2/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran?
(3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran has a molecular weight of 144.17 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 131848834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).