hexan-2-yl acetate;3-methoxybutyl acetate

C15H30O5 — CID 161348178

IUPAChexan-2-yl acetate;3-methoxybutyl acetate
SMILESCCCCC(C)OC(C)=O.COC(C)CCOC(C)=O
InChIInChI=1S/C8H16O2.C7H14O3/c1-4-5-6-7(2)10-8(3)9;1-6(9-3)4-5-10-7(2)8/h7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyVNOUUGPDMYCOGG-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.10
Rot. Bonds8

About hexan-2-yl acetate;3-methoxybutyl acetate

hexan-2-yl acetate;3-methoxybutyl acetate (PubChem CID 161348178) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is hexan-2-yl acetate;3-methoxybutyl acetate.

Molecular Properties

Compound Namehexan-2-yl acetate;3-methoxybutyl acetate
PubChem CID161348178
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Namehexan-2-yl acetate;3-methoxybutyl acetate
SMILESCCCCC(C)OC(C)=O.COC(C)CCOC(C)=O
InChIInChI=1S/C8H16O2.C7H14O3/c1-4-5-6-7(2)10-8(3)9;1-6(9-3)4-5-10-7(2)8/h7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyVNOUUGPDMYCOGG-UHFFFAOYSA-N
XLogP3.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

hexan-2-yl acetate;methane
CID 159910641
3-methoxybutyl acetate;3-methoxypentyl acetate
CID 160531415
pentacosan-2-yl acetate
CID 173416941
butyl 3-methoxybutyl carbonate
CID 87247600
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
3-methoxybutyl nonanoate
CID 91752113
ethane;2-methoxyhexane
CID 91199174
heptane;3-methylbutyl acetate
CID 89407384
1-hexan-2-yloxyethyl acetate
CID 87208887
1-methoxypentyl acetate
CID 18000534
azane;pentan-2-yl acetate
CID 174372937
hexan-2-yl 2-methyl-3-oxobutanoate
CID 141115221

Frequently Asked Questions

What is the IUPAC name of hexan-2-yl acetate;3-methoxybutyl acetate?
The IUPAC name of hexan-2-yl acetate;3-methoxybutyl acetate (CID 161348178) is hexan-2-yl acetate;3-methoxybutyl acetate.
What is the SMILES notation for hexan-2-yl acetate;3-methoxybutyl acetate?
The canonical SMILES for hexan-2-yl acetate;3-methoxybutyl acetate is CCCCC(C)OC(C)=O.COC(C)CCOC(C)=O.
What is the InChIKey of hexan-2-yl acetate;3-methoxybutyl acetate?
The InChIKey is VNOUUGPDMYCOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C7H14O3/c1-4-5-6-7(2)10-8(3)9;1-6(9-3)4-5-10-7(2)8/h7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of hexan-2-yl acetate;3-methoxybutyl acetate?
hexan-2-yl acetate;3-methoxybutyl acetate has a molecular weight of 290.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl acetate;3-methoxybutyl acetate is sourced from PubChem (CID 161348178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).