(3S)-3-methoxydecanal

C11H22O2 — CID 58437054

IUPAC(3S)-3-methoxydecanal
SMILESCCCCCCC[C@@H](CC=O)OC
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13-2)9-10-12/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBVYIXZJVWVCOLC-NSHDSACASA-N
MW186.29 g/mol
LogP2.95
Rot. Bonds9

About (3S)-3-methoxydecanal

(3S)-3-methoxydecanal (PubChem CID 58437054) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (3S)-3-methoxydecanal.

Molecular Properties

Compound Name(3S)-3-methoxydecanal
PubChem CID58437054
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(3S)-3-methoxydecanal
SMILESCCCCCCC[C@@H](CC=O)OC
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13-2)9-10-12/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBVYIXZJVWVCOLC-NSHDSACASA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxyheptadec-2-enal
CID 91518911
(5S)-5-methoxyundecane
CID 118889956
5-methoxydec-2-enal
CID 71373552
(3S)-3-(2-methoxypropan-2-yloxy)tetradecanal
CID 10518344
[(3S)-1-oxotetradecan-3-yl] acetate
CID 118532907
4-methoxynon-1-ene
CID 13284925
(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
CID 16741866
1-oxohexadecan-3-yl tetradecanoate
CID 54377556
1-oxotridecan-3-yl heptadecanoate
CID 54507993
1-oxopentadecan-3-yl octadecanoate
CID 54081284
8-aminooctanal;7-methoxytetradecane;propane
CID 168894528
1-oxotetradecan-3-yl tetradecanoate
CID 19756105

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxydecanal?
The IUPAC name of (3S)-3-methoxydecanal (CID 58437054) is (3S)-3-methoxydecanal.
What is the SMILES notation for (3S)-3-methoxydecanal?
The canonical SMILES for (3S)-3-methoxydecanal is CCCCCCC[C@@H](CC=O)OC.
What is the InChIKey of (3S)-3-methoxydecanal?
The InChIKey is BVYIXZJVWVCOLC-NSHDSACASA-N. The full InChI is InChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13-2)9-10-12/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-methoxydecanal?
(3S)-3-methoxydecanal has a molecular weight of 186.29 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxydecanal is sourced from PubChem (CID 58437054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).