[(2R,6R)-6-acetyloxyheptan-2-yl] acetate

C11H20O4 — CID 100950858

IUPAC[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCC[C@@H](C)OC(C)=O
InChIInChI=1S/C11H20O4/c1-8(14-10(3)12)6-5-7-9(2)15-11(4)13/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyMJHILYFKDYGKMZ-RKDXNWHRSA-N
MW216.28 g/mol
LogP2.06
Rot. Bonds6

About [(2R,6R)-6-acetyloxyheptan-2-yl] acetate

[(2R,6R)-6-acetyloxyheptan-2-yl] acetate (PubChem CID 100950858) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(2R,6R)-6-acetyloxyheptan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
PubChem CID100950858
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCC[C@@H](C)OC(C)=O
InChIInChI=1S/C11H20O4/c1-8(14-10(3)12)6-5-7-9(2)15-11(4)13/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyMJHILYFKDYGKMZ-RKDXNWHRSA-N
XLogP2.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,6R)-6-acetyloxyheptan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexan-2-yl acetate;methane
CID 159910641
6-hydroxyhexan-2-yl acetate
CID 15812148
[(2R)-6-bromohexan-2-yl] acetate
CID 12619445
(5R)-5-acetyloxyhexanoic acid
CID 87649956
pentacosan-2-yl acetate
CID 173416941
5-trihydroxysilylpentan-2-yl acetate
CID 90797840
methyl (2S,6R)-2,6-diacetyloxyheptanoate
CID 102406465
7-acetyloxyoctanoic acid
CID 14119881
azane;pentan-2-yl acetate
CID 174372937
[(2R)-12-oxododecan-2-yl] acetate
CID 102367359
[(2S)-8-oxooctan-2-yl] acetate
CID 72946999
4-acetyloxypentanoic acid
CID 14737198

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-acetyloxyheptan-2-yl] acetate?
The IUPAC name of [(2R,6R)-6-acetyloxyheptan-2-yl] acetate (CID 100950858) is [(2R,6R)-6-acetyloxyheptan-2-yl] acetate.
What is the SMILES notation for [(2R,6R)-6-acetyloxyheptan-2-yl] acetate?
The canonical SMILES for [(2R,6R)-6-acetyloxyheptan-2-yl] acetate is CC(=O)O[C@H](C)CCC[C@@H](C)OC(C)=O.
What is the InChIKey of [(2R,6R)-6-acetyloxyheptan-2-yl] acetate?
The InChIKey is MJHILYFKDYGKMZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(14-10(3)12)6-5-7-9(2)15-11(4)13/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of [(2R,6R)-6-acetyloxyheptan-2-yl] acetate?
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate has a molecular weight of 216.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-acetyloxyheptan-2-yl] acetate is sourced from PubChem (CID 100950858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).