[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate

C9H18O4 — CID 95051084

IUPAC[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
SMILESCOC[C@H](C)OC[C@@H](C)OC(C)=O
InChIInChI=1S/C9H18O4/c1-7(5-11-4)12-6-8(2)13-9(3)10/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyLAVARTIQQDZFNT-JGVFFNPUSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds6

About [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate

[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate (PubChem CID 95051084) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
PubChem CID95051084
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
SMILESCOC[C@H](C)OC[C@@H](C)OC(C)=O
InChIInChI=1S/C9H18O4/c1-7(5-11-4)12-6-8(2)13-9(3)10/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyLAVARTIQQDZFNT-JGVFFNPUSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
CID 131978337
1-methoxypropan-2-yl acetate;4-methylpentan-2-one
CID 155229582
1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 87296802
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
1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
CID 87233398
2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate
CID 58422665
1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 525169
1-(3-methoxypropoxy)propan-2-yl acetate
CID 73357448

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate?
The IUPAC name of [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate (CID 95051084) is [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate is COC[C@H](C)OC[C@@H](C)OC(C)=O.
What is the InChIKey of [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate?
The InChIKey is LAVARTIQQDZFNT-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18O4/c1-7(5-11-4)12-6-8(2)13-9(3)10/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate?
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate has a molecular weight of 190.24 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate is sourced from PubChem (CID 95051084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).