ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde

C12H24O3 — CID 171562498

IUPACethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde
SMILESCC.COC1(CC=O)OC(C)CCC1C
InChIInChI=1S/C10H18O3.C2H6/c1-8-4-5-9(2)13-10(8,12-3)6-7-11;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyGRZDVAGHMDIKBV-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.78
Rot. Bonds3

About ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde

ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde (PubChem CID 171562498) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde.

Molecular Properties

Compound Nameethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde
PubChem CID171562498
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde
SMILESCC.COC1(CC=O)OC(C)CCC1C
InChIInChI=1S/C10H18O3.C2H6/c1-8-4-5-9(2)13-10(8,12-3)6-7-11;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyGRZDVAGHMDIKBV-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.78
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

(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal
CID 134854754
Ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate
CID 134998976
3-[(2S,3R,4S,5R,6R)-6-methoxy-4-(methoxymethoxy)-3,5-dimethyloxan-2-yl]propanal
CID 11821346
3-[6-Methoxy-4-(methoxymethoxy)-3,5-dimethyloxan-2-yl]propanal
CID 21923417
(2R,3R,6S)-6-methoxy-2,6-dimethyloxane-3-carbaldehyde
CID 57856199
2-(4,6-Dimethyloxan-2-yl)acetaldehyde
CID 59821309
7-Methyl-10-(oxan-2-yloxy)henicosan-8-one
CID 70401680
3-[(2S,3S,4S,5R,6R)-6-methoxy-4-(methoxymethoxy)-3,5-dimethyloxan-2-yl]propanal
CID 87287016
2-[(5R,6R)-5,6-dimethyloxan-2-yl]acetaldehyde;ethane;methoxymethane
CID 144518503
2-(5-Pentyloxan-2-yl)acetaldehyde
CID 145301364
2-(Oxan-2-yl)butanal
CID 152692622
4-[5-(Oxan-2-yloxy)hexan-2-yl]oxetan-2-one
CID 156206204

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde?
The IUPAC name of ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde (CID 171562498) is ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde.
What is the SMILES notation for ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde?
The canonical SMILES for ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde is CC.COC1(CC=O)OC(C)CCC1C.
What is the InChIKey of ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde?
The InChIKey is GRZDVAGHMDIKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C2H6/c1-8-4-5-9(2)13-10(8,12-3)6-7-11;1-2/h7-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde?
ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde has a molecular weight of 216.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde is sourced from PubChem (CID 171562498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).