(3-ethyl-4-methylideneoxolan-3-yl)methyl acetate

C10H16O3 — CID 13440015

IUPAC(3-ethyl-4-methylideneoxolan-3-yl)methyl acetate
SMILESC=C1COCC1(CC)COC(C)=O
InChIInChI=1S/C10H16O3/c1-4-10(7-13-9(3)11)6-12-5-8(10)2/h2,4-7H2,1,3H3
InChIKeyBZUODYXFLYSPOT-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds3

About (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate

(3-ethyl-4-methylideneoxolan-3-yl)methyl acetate (PubChem CID 13440015) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate.

Molecular Properties

Compound Name(3-ethyl-4-methylideneoxolan-3-yl)methyl acetate
PubChem CID13440015
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3-ethyl-4-methylideneoxolan-3-yl)methyl acetate
SMILESC=C1COCC1(CC)COC(C)=O
InChIInChI=1S/C10H16O3/c1-4-10(7-13-9(3)11)6-12-5-8(10)2/h2,4-7H2,1,3H3
InChIKeyBZUODYXFLYSPOT-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4,4-Dimethyl-2-methylidenepentyl) acetate
CID 13678943
3-(Methoxymethyl)-4-methylidene-3-prop-2-enyloxolan-2-one
CID 13428036
2-(4-Methylideneoxolan-3-yl)propan-2-yl acetate
CID 15483046
3,3-Diethyl-4-methylideneoxolan-2-one
CID 24974057
3,3-diisopropyl-4-methylenedihydro-2(3H)-furanone
CID 24975343

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate?
The IUPAC name of (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate (CID 13440015) is (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate.
What is the SMILES notation for (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate?
The canonical SMILES for (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate is C=C1COCC1(CC)COC(C)=O.
What is the InChIKey of (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate?
The InChIKey is BZUODYXFLYSPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-10(7-13-9(3)11)6-12-5-8(10)2/h2,4-7H2,1,3H3.
What are the key properties of (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate?
(3-ethyl-4-methylideneoxolan-3-yl)methyl acetate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylideneoxolan-3-yl)methyl acetate is sourced from PubChem (CID 13440015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).