1-methoxypropan-2-yl acetate;2-methoxypropyl acetate

C12H24O6 — CID 87233398

IUPAC1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
SMILESCOC(C)COC(C)=O.COCC(C)OC(C)=O
InChIInChI=1S/2C6H12O3/c1-5(8-3)4-9-6(2)7;1-5(4-8-3)9-6(2)7/h2*5H,4H2,1-3H3
InChIKeyNVNHYMZQUYNJCB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds6

About 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate

1-methoxypropan-2-yl acetate;2-methoxypropyl acetate (PubChem CID 87233398) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate.

Molecular Properties

Compound Name1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
PubChem CID87233398
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
SMILESCOC(C)COC(C)=O.COCC(C)OC(C)=O
InChIInChI=1S/2C6H12O3/c1-5(8-3)4-9-6(2)7;1-5(4-8-3)9-6(2)7/h2*5H,4H2,1-3H3
InChIKeyNVNHYMZQUYNJCB-UHFFFAOYSA-N
XLogP1.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetyloxypropyl acetate;propan-2-one
CID 159489239
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
1-methoxypropan-2-yl acetate;4-methylpentan-2-one
CID 155229582
dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
CID 174872279
2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane
CID 173118871
2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate
CID 58422665
1-(3-methoxypropoxy)propan-2-yl acetate
CID 73357448
(2,4-diacetyloxy-3,5-dimethoxypentyl) acetate
CID 539466
1-methoxypropan-2-yl acetate;pentanoic acid
CID 175986355

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate?
The IUPAC name of 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate (CID 87233398) is 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate.
What is the SMILES notation for 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate?
The canonical SMILES for 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate is COC(C)COC(C)=O.COCC(C)OC(C)=O.
What is the InChIKey of 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate?
The InChIKey is NVNHYMZQUYNJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O3/c1-5(8-3)4-9-6(2)7;1-5(4-8-3)9-6(2)7/h2*5H,4H2,1-3H3.
What are the key properties of 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate?
1-methoxypropan-2-yl acetate;2-methoxypropyl acetate has a molecular weight of 264.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl acetate;2-methoxypropyl acetate is sourced from PubChem (CID 87233398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).