[(3S)-3-methoxybutyl] propanoate

C8H16O3 — CID 102330926

IUPAC[(3S)-3-methoxybutyl] propanoate
SMILESCCC(=O)OCC[C@H](C)OC
InChIInChI=1S/C8H16O3/c1-4-8(9)11-6-5-7(2)10-3/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyGHVQFNRPRVTBJY-ZETCQYMHSA-N
MW160.21 g/mol
LogP1.36
Rot. Bonds5

About [(3S)-3-methoxybutyl] propanoate

[(3S)-3-methoxybutyl] propanoate (PubChem CID 102330926) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [(3S)-3-methoxybutyl] propanoate.

Molecular Properties

Compound Name[(3S)-3-methoxybutyl] propanoate
PubChem CID102330926
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[(3S)-3-methoxybutyl] propanoate
SMILESCCC(=O)OCC[C@H](C)OC
InChIInChI=1S/C8H16O3/c1-4-8(9)11-6-5-7(2)10-3/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyGHVQFNRPRVTBJY-ZETCQYMHSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-methoxybutyl) pentanedioate
CID 91752160
3-carbonochloridoyloxybutyl propanoate
CID 154944662
[(3R)-3-methoxybutyl] 3-chloropropanoate
CID 129359861
3-methoxybutyl nonanoate
CID 91752113
[(3R)-3-fluorobutyl] propanoate
CID 163735225
1,2-dimethoxypropane;ethyl propanoate
CID 160979574
butyl 3-methoxybutyl carbonate
CID 87247600
3-methoxybutyl 2-ethoxy-2-propanoyloxybutanoate
CID 174824022
3-methoxybutoxycarbonyloxyperoxy 3-methoxybutyl carbonate
CID 91446158
bis(3-methoxybutyl) 2,2-dimethylpropanedioate
CID 101278725
3-methoxybutyl acetate;3-methoxypentyl acetate
CID 160531415
3-methoxybutoxy 3-methoxybutyl carbonate
CID 22901749

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxybutyl] propanoate?
The IUPAC name of [(3S)-3-methoxybutyl] propanoate (CID 102330926) is [(3S)-3-methoxybutyl] propanoate.
What is the SMILES notation for [(3S)-3-methoxybutyl] propanoate?
The canonical SMILES for [(3S)-3-methoxybutyl] propanoate is CCC(=O)OCC[C@H](C)OC.
What is the InChIKey of [(3S)-3-methoxybutyl] propanoate?
The InChIKey is GHVQFNRPRVTBJY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-8(9)11-6-5-7(2)10-3/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of [(3S)-3-methoxybutyl] propanoate?
[(3S)-3-methoxybutyl] propanoate has a molecular weight of 160.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxybutyl] propanoate is sourced from PubChem (CID 102330926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).