3-butyl-2,5-dimethylideneoxolane

C10H16O — CID 145353865

IUPAC3-butyl-2,5-dimethylideneoxolane
SMILESC=C1CC(CCCC)C(=C)O1
InChIInChI=1S/C10H16O/c1-4-5-6-10-7-8(2)11-9(10)3/h10H,2-7H2,1H3
InChIKeyDSLZDWZDRIRNPO-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.24
Rot. Bonds3

About 3-butyl-2,5-dimethylideneoxolane

3-butyl-2,5-dimethylideneoxolane (PubChem CID 145353865) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-butyl-2,5-dimethylideneoxolane.

Molecular Properties

Compound Name3-butyl-2,5-dimethylideneoxolane
PubChem CID145353865
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-butyl-2,5-dimethylideneoxolane
SMILESC=C1CC(CCCC)C(=C)O1
InChIInChI=1S/C10H16O/c1-4-5-6-10-7-8(2)11-9(10)3/h10H,2-7H2,1H3
InChIKeyDSLZDWZDRIRNPO-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-Methoxy-vinyl)-cyclohexane
CID 18381009
2-Methylidene-1-oxaspiro[4.5]decane
CID 14560572
2-Ethenoxy-4-ethyloct-1-ene
CID 18769628
4-Methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene
CID 22164522
4-Ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene
CID 56634113
3-(3-Methylpent-1-en-2-yloxymethyl)heptane
CID 58571434
2-Methyl-5-methylidene-2-propan-2-yloxolane
CID 58618167
4-(2,2-Dimethylbutyl)-2-methylideneoxolane;bis(yttrium)
CID 58763811
1,2-Dimethyl-5-methylidene-4-oxaspiro[2.4]heptane
CID 68101519
5-Methyl-2-methylidene-3-octyloxolane
CID 68347660
5-Methyl-2-methylidene-3-pentyloxolane
CID 68347662
(2R)-2-hexyl-2-methyl-5-methylideneoxolane
CID 68347841

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,5-dimethylideneoxolane?
The IUPAC name of 3-butyl-2,5-dimethylideneoxolane (CID 145353865) is 3-butyl-2,5-dimethylideneoxolane.
What is the SMILES notation for 3-butyl-2,5-dimethylideneoxolane?
The canonical SMILES for 3-butyl-2,5-dimethylideneoxolane is C=C1CC(CCCC)C(=C)O1.
What is the InChIKey of 3-butyl-2,5-dimethylideneoxolane?
The InChIKey is DSLZDWZDRIRNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-6-10-7-8(2)11-9(10)3/h10H,2-7H2,1H3.
What are the key properties of 3-butyl-2,5-dimethylideneoxolane?
3-butyl-2,5-dimethylideneoxolane has a molecular weight of 152.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,5-dimethylideneoxolane is sourced from PubChem (CID 145353865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).