4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane

C13H24O — CID 142091926

IUPAC4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane
SMILESC=C1CC(CC)(CC(CC)CC)CO1
InChIInChI=1S/C13H24O/c1-5-12(6-2)9-13(7-3)8-11(4)14-10-13/h12H,4-10H2,1-3H3
InChIKeyGKTVDJWEDHOHIQ-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds5

About 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane

4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane (PubChem CID 142091926) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane.

Molecular Properties

Compound Name4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane
PubChem CID142091926
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane
SMILESC=C1CC(CC)(CC(CC)CC)CO1
InChIInChI=1S/C13H24O/c1-5-12(6-2)9-13(7-3)8-11(4)14-10-13/h12H,4-10H2,1-3H3
InChIKeyGKTVDJWEDHOHIQ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl isobutyl tetrahydrofuran ketone
CID 129747516
3-Methylidene-2-oxaspiro[4.4]nonane
CID 135023324
3-(3-Methylpent-1-en-2-yloxymethyl)heptane
CID 58571434
3-Tert-butyl-5-methyl-2-methylideneoxolane
CID 58741998
4-(2,2-Dimethylbutyl)-2-methylideneoxolane;bis(yttrium)
CID 58763811
(3S,4S)-5-ethyl-2,3,4-trimethyl-3-prop-2-enyloxolane
CID 68074358
1,2-Dimethyl-5-methylidene-6-oxaspiro[2.4]heptane
CID 68101518
2,3-Ditert-butyl-5-methylideneoxolane
CID 68259000
5-Methyl-2-methylidene-3-octyloxolane
CID 68347660
5-Methyl-2-methylidene-3-pentyloxolane
CID 68347662
3-Hexyl-2-methylideneoxolane
CID 68360261
3-Heptyl-2-methylideneoxolane
CID 68360287

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane?
The IUPAC name of 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane (CID 142091926) is 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane.
What is the SMILES notation for 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane?
The canonical SMILES for 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane is C=C1CC(CC)(CC(CC)CC)CO1.
What is the InChIKey of 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane?
The InChIKey is GKTVDJWEDHOHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-12(6-2)9-13(7-3)8-11(4)14-10-13/h12H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane?
4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane has a molecular weight of 196.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(2-ethylbutyl)-2-methylideneoxolane is sourced from PubChem (CID 142091926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).