(3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde

C10H18O3 — CID 58241370

IUPAC(3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde
SMILESCO[C@@H]1OC(C=O)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C10H18O3/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h5-10H,1-4H3/t6-,7+,8?,9?,10+/m0/s1
InChIKeyYMYVIQQEEZTPFQ-HAEBQSFCSA-N
MW186.25 g/mol
LogP1.46
Rot. Bonds2

About (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde

(3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde (PubChem CID 58241370) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde.

Molecular Properties

Compound Name(3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde
PubChem CID58241370
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde
SMILESCO[C@@H]1OC(C=O)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C10H18O3/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h5-10H,1-4H3/t6-,7+,8?,9?,10+/m0/s1
InChIKeyYMYVIQQEEZTPFQ-HAEBQSFCSA-N
XLogP1.46
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 ≤ 51.46
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

3,5-Dimethyl-6-(tetrahydro-2h-pyran-2-yloxy)hexanal
CID 72789867
(2R)-2-(methoxymethoxy)-6-(oxan-2-yloxy)hexanal
CID 16006997
(2S,3S,5R,6S)-6-methoxy-3,5-dimethyloxane-2-carbaldehyde
CID 131168062
2-(Oxan-2-yloxy)hexanal
CID 12245802
6-Methoxyoxane-2-carbaldehyde
CID 13108352
(5S)-5-methyl-6-(oxan-2-yloxy)hexanal
CID 15020259
1-(6-Methoxy-3,4,5-trimethyloxan-2-yl)ethanone
CID 20760143
6-Methoxy-3,4-dimethyloxane-2-carbaldehyde
CID 57884645
6-Methoxy-3,4,5-trimethyloxane-2-carbaldehyde
CID 57884646
1-(6-Methoxy-3,4-dimethyloxan-2-yl)ethanone
CID 57884724
(2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde
CID 59821302
(2R)-2-(oxan-2-yloxy)hexanal
CID 88059247

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde?
The IUPAC name of (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde (CID 58241370) is (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde.
What is the SMILES notation for (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde?
The canonical SMILES for (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde is CO[C@@H]1OC(C=O)[C@H](C)[C@H](C)C1C.
What is the InChIKey of (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde?
The InChIKey is YMYVIQQEEZTPFQ-HAEBQSFCSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h5-10H,1-4H3/t6-,7+,8?,9?,10+/m0/s1.
What are the key properties of (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde?
(3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde has a molecular weight of 186.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-6-methoxy-3,4,5-trimethyloxane-2-carbaldehyde is sourced from PubChem (CID 58241370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).