3,4,5-trimethoxy-6-methylideneoxan-2-one

C9H14O5 — CID 18721084

IUPAC3,4,5-trimethoxy-6-methylideneoxan-2-one
SMILESC=C1OC(=O)C(OC)C(OC)C1OC
InChIInChI=1S/C9H14O5/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5/h6-8H,1H2,2-4H3
InChIKeyFDJVQULYRXKUJF-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.10
Rot. Bonds3

About 3,4,5-trimethoxy-6-methylideneoxan-2-one

3,4,5-trimethoxy-6-methylideneoxan-2-one (PubChem CID 18721084) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3,4,5-trimethoxy-6-methylideneoxan-2-one.

Molecular Properties

Compound Name3,4,5-trimethoxy-6-methylideneoxan-2-one
PubChem CID18721084
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name3,4,5-trimethoxy-6-methylideneoxan-2-one
SMILESC=C1OC(=O)C(OC)C(OC)C1OC
InChIInChI=1S/C9H14O5/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5/h6-8H,1H2,2-4H3
InChIKeyFDJVQULYRXKUJF-UHFFFAOYSA-N
XLogP0.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ST50405664
CID 2734748
methyl (2S,3S,4S)-3,4,5-triacetyloxy-3,4-dihydro-2H-pyran-2-carboxylate
CID 11088372
(2S,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-carboxylic acid
CID 134895176
Methyl-3,4-di-O-acetyl-D-glucuronal
CID 71049463
methyl (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-methylideneoxane-2-carboxylate
CID 164591644
3,4-Di-O-acetyl-D-glucuronal methyl ester
CID 8030593
Methyl 3,4-di-O-acetyl-2,6-anhydro-5-deoxy-L-arabino-hex-5-enonate
CID 71317102
methyl (2S,3R,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-carboxylate
CID 71777459
methyl 3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-carboxylate
CID 77869541

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-6-methylideneoxan-2-one?
The IUPAC name of 3,4,5-trimethoxy-6-methylideneoxan-2-one (CID 18721084) is 3,4,5-trimethoxy-6-methylideneoxan-2-one.
What is the SMILES notation for 3,4,5-trimethoxy-6-methylideneoxan-2-one?
The canonical SMILES for 3,4,5-trimethoxy-6-methylideneoxan-2-one is C=C1OC(=O)C(OC)C(OC)C1OC.
What is the InChIKey of 3,4,5-trimethoxy-6-methylideneoxan-2-one?
The InChIKey is FDJVQULYRXKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5/h6-8H,1H2,2-4H3.
What are the key properties of 3,4,5-trimethoxy-6-methylideneoxan-2-one?
3,4,5-trimethoxy-6-methylideneoxan-2-one has a molecular weight of 202.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-6-methylideneoxan-2-one is sourced from PubChem (CID 18721084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).