2-methylidene-4-(2-methylpropyl)oxolane

C9H16O — CID 159045199

IUPAC2-methylidene-4-(2-methylpropyl)oxolane
SMILESC=C1CC(CC(C)C)CO1
InChIInChI=1S/C9H16O/c1-7(2)4-9-5-8(3)10-6-9/h7,9H,3-6H2,1-2H3
InChIKeyQMXVJCBERNSONG-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.58
Rot. Bonds2

About 2-methylidene-4-(2-methylpropyl)oxolane

2-methylidene-4-(2-methylpropyl)oxolane (PubChem CID 159045199) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methylidene-4-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name2-methylidene-4-(2-methylpropyl)oxolane
PubChem CID159045199
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methylidene-4-(2-methylpropyl)oxolane
SMILESC=C1CC(CC(C)C)CO1
InChIInChI=1S/C9H16O/c1-7(2)4-9-5-8(3)10-6-9/h7,9H,3-6H2,1-2H3
InChIKeyQMXVJCBERNSONG-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(r)-5-Ethyl-2-methylene-tetrahydro-pyran
CID 14892305
Ethyl 1-isopentylvinyl ether
CID 89670721
2-Ethoxy-3-ethyl-5-fluorohex-1-ene
CID 162686841
4-Methyl-2-methylideneoxepane
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4-Methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene
CID 22164522
6-Methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene
CID 57040541
(2R)-2-ethyl-3-prop-1-en-2-yl-5-tritiooxolane
CID 57722165
3-Methylbut-1-en-2-yloxymethylcyclopentane
CID 58449961
3-(3-Methylpent-1-en-2-yloxymethyl)heptane
CID 58571434
2-Methyl-5-methylidene-2-propan-2-yloxolane
CID 58618167
3-Tert-butyl-5-methyl-2-methylideneoxolane
CID 58741998
4-(2,2-Dimethylbutyl)-2-methylideneoxolane;bis(yttrium)
CID 58763811

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-(2-methylpropyl)oxolane?
The IUPAC name of 2-methylidene-4-(2-methylpropyl)oxolane (CID 159045199) is 2-methylidene-4-(2-methylpropyl)oxolane.
What is the SMILES notation for 2-methylidene-4-(2-methylpropyl)oxolane?
The canonical SMILES for 2-methylidene-4-(2-methylpropyl)oxolane is C=C1CC(CC(C)C)CO1.
What is the InChIKey of 2-methylidene-4-(2-methylpropyl)oxolane?
The InChIKey is QMXVJCBERNSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)4-9-5-8(3)10-6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-methylidene-4-(2-methylpropyl)oxolane?
2-methylidene-4-(2-methylpropyl)oxolane has a molecular weight of 140.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(2-methylpropyl)oxolane is sourced from PubChem (CID 159045199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).