(2,4-dimethyl-6-methylideneoxan-3-yl) acetate

C10H16O3 — CID 91050382

IUPAC(2,4-dimethyl-6-methylideneoxan-3-yl) acetate
SMILESC=C1CC(C)C(OC(C)=O)C(C)O1
InChIInChI=1S/C10H16O3/c1-6-5-7(2)12-8(3)10(6)13-9(4)11/h6,8,10H,2,5H2,1,3-4H3
InChIKeyKPMMXDLBYKFCQX-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.88
Rot. Bonds1

About (2,4-dimethyl-6-methylideneoxan-3-yl) acetate

(2,4-dimethyl-6-methylideneoxan-3-yl) acetate (PubChem CID 91050382) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2,4-dimethyl-6-methylideneoxan-3-yl) acetate.

Molecular Properties

Compound Name(2,4-dimethyl-6-methylideneoxan-3-yl) acetate
PubChem CID91050382
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2,4-dimethyl-6-methylideneoxan-3-yl) acetate
SMILESC=C1CC(C)C(OC(C)=O)C(C)O1
InChIInChI=1S/C10H16O3/c1-6-5-7(2)12-8(3)10(6)13-9(4)11/h6,8,10H,2,5H2,1,3-4H3
InChIKeyKPMMXDLBYKFCQX-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R,5R)-2-ethenyl-5-methyloxan-3-yl] acetate
CID 22848914
[(2S,3R,5S)-2-ethenyl-5-methyloxan-3-yl] acetate
CID 22848917
[(2S,3S)-2-acetyloxy-3-methylhept-6-enyl] acetate
CID 11310731
[(3S,4R)-4-butyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 101999691
4-[1-[2-(2-Methoxyethoxy)ethoxy]ethenyl]-2-methyloxane
CID 143374559
[(2R,3R,4S)-5-acetyloxy-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 160361086
[(2R,3S,4S)-5-acetyloxy-3-methyl-2-propan-2-yl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 160780876

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-6-methylideneoxan-3-yl) acetate?
The IUPAC name of (2,4-dimethyl-6-methylideneoxan-3-yl) acetate (CID 91050382) is (2,4-dimethyl-6-methylideneoxan-3-yl) acetate.
What is the SMILES notation for (2,4-dimethyl-6-methylideneoxan-3-yl) acetate?
The canonical SMILES for (2,4-dimethyl-6-methylideneoxan-3-yl) acetate is C=C1CC(C)C(OC(C)=O)C(C)O1.
What is the InChIKey of (2,4-dimethyl-6-methylideneoxan-3-yl) acetate?
The InChIKey is KPMMXDLBYKFCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-5-7(2)12-8(3)10(6)13-9(4)11/h6,8,10H,2,5H2,1,3-4H3.
What are the key properties of (2,4-dimethyl-6-methylideneoxan-3-yl) acetate?
(2,4-dimethyl-6-methylideneoxan-3-yl) acetate has a molecular weight of 184.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-6-methylideneoxan-3-yl) acetate is sourced from PubChem (CID 91050382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).