3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde

C10H18O3 — CID 20768709

IUPAC3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde
SMILESCOC1C(C=O)OC(C)C(C)C1C
InChIInChI=1S/C10H18O3/c1-6-7(2)10(12-4)9(5-11)13-8(6)3/h5-10H,1-4H3
InChIKeyIJXRSQZNZWLTDQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.26
Rot. Bonds2

About 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde

3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde (PubChem CID 20768709) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde
PubChem CID20768709
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde
SMILESCOC1C(C=O)OC(C)C(C)C1C
InChIInChI=1S/C10H18O3/c1-6-7(2)10(12-4)9(5-11)13-8(6)3/h5-10H,1-4H3
InChIKeyIJXRSQZNZWLTDQ-UHFFFAOYSA-N
XLogP1.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

carbanide;3-methoxy-4,5-dimethyl-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)
CID 20576708
carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)
CID 20576712
Actinium;(3-hydroxy-4,5,6-trimethyloxan-2-yl)methanone
CID 20588387
3,4-Dimethoxy-5,6-dimethyloxane-2-carbaldehyde
CID 20662025
Carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)
CID 22090801
1-(1,4-Dioxan-2-yl)-2-ethylhexan-1-one
CID 22168527
(4S)-4,6-dimethyloxane-2-carbaldehyde
CID 59821304
(3R,4S)-6-ethyl-3,4,5-trimethyloxane-2-carbaldehyde
CID 59993650
(2R,3R,4S)-6-ethyl-3,4,5-trimethyloxane-2-carbaldehyde
CID 59993656
4,6-Dimethyloxane-2-carbaldehyde
CID 72570887
(5S)-4-ethyl-5-methyloxane-2-carbaldehyde
CID 164067267
6-Ethyl-4-propyloxane-2-carbaldehyde
CID 164153453

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde?
The IUPAC name of 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde (CID 20768709) is 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde.
What is the SMILES notation for 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde?
The canonical SMILES for 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde is COC1C(C=O)OC(C)C(C)C1C.
What is the InChIKey of 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde?
The InChIKey is IJXRSQZNZWLTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-7(2)10(12-4)9(5-11)13-8(6)3/h5-10H,1-4H3.
What are the key properties of 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde?
3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde has a molecular weight of 186.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,5,6-trimethyloxane-2-carbaldehyde is sourced from PubChem (CID 20768709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).