3-methoxybutyl acetate;3-methoxypentyl acetate

C15H30O6 — CID 160531415

IUPAC3-methoxybutyl acetate;3-methoxypentyl acetate
SMILESCCC(CCOC(C)=O)OC.COC(C)CCOC(C)=O
InChIInChI=1S/C8H16O3.C7H14O3/c1-4-8(10-3)5-6-11-7(2)9;1-6(9-3)4-5-10-7(2)8/h8H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyQVOYSYYYJRGNRK-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.34
Rot. Bonds9

About 3-methoxybutyl acetate;3-methoxypentyl acetate

3-methoxybutyl acetate;3-methoxypentyl acetate (PubChem CID 160531415) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 3-methoxybutyl acetate;3-methoxypentyl acetate.

Molecular Properties

Compound Name3-methoxybutyl acetate;3-methoxypentyl acetate
PubChem CID160531415
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name3-methoxybutyl acetate;3-methoxypentyl acetate
SMILESCCC(CCOC(C)=O)OC.COC(C)CCOC(C)=O
InChIInChI=1S/C8H16O3.C7H14O3/c1-4-8(10-3)5-6-11-7(2)9;1-6(9-3)4-5-10-7(2)8/h8H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyQVOYSYYYJRGNRK-UHFFFAOYSA-N
XLogP2.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

hexan-2-yl acetate;3-methoxybutyl acetate
CID 161348178
6-acetyloxy-4-methoxyhexanoic acid
CID 175550435
[(3S)-3-methoxybutyl] propanoate
CID 102330926
butyl 3-methoxybutyl carbonate
CID 87247600
bis(3-methoxybutyl) pentanedioate
CID 91752160
3-methoxybutoxycarbonyloxyperoxy 3-methoxybutyl carbonate
CID 91446158
bis(3-methoxybutyl) 2,2-dimethylpropanedioate
CID 101278725
3-methoxybutoxy 3-methoxybutyl carbonate
CID 22901749
3-methylbutyl acetate;oxophosphanium
CID 159706016
6-methoxy-2-methyloctan-3-one
CID 168936546
3-methoxybutyl nonanoate
CID 91752113
[(3R)-3-methoxybutyl] 3-chloropropanoate
CID 129359861

Frequently Asked Questions

What is the IUPAC name of 3-methoxybutyl acetate;3-methoxypentyl acetate?
The IUPAC name of 3-methoxybutyl acetate;3-methoxypentyl acetate (CID 160531415) is 3-methoxybutyl acetate;3-methoxypentyl acetate.
What is the SMILES notation for 3-methoxybutyl acetate;3-methoxypentyl acetate?
The canonical SMILES for 3-methoxybutyl acetate;3-methoxypentyl acetate is CCC(CCOC(C)=O)OC.COC(C)CCOC(C)=O.
What is the InChIKey of 3-methoxybutyl acetate;3-methoxypentyl acetate?
The InChIKey is QVOYSYYYJRGNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C7H14O3/c1-4-8(10-3)5-6-11-7(2)9;1-6(9-3)4-5-10-7(2)8/h8H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 3-methoxybutyl acetate;3-methoxypentyl acetate?
3-methoxybutyl acetate;3-methoxypentyl acetate has a molecular weight of 306.40 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutyl acetate;3-methoxypentyl acetate is sourced from PubChem (CID 160531415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).