3-methylidene-4-propan-2-ylideneoxolane

C8H12O — CID 89206773

IUPAC3-methylidene-4-propan-2-ylideneoxolane
SMILESC=C1COCC1=C(C)C
InChIInChI=1S/C8H12O/c1-6(2)8-5-9-4-7(8)3/h3-5H2,1-2H3
InChIKeySYWNPYPGVQAICV-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds

About 3-methylidene-4-propan-2-ylideneoxolane

3-methylidene-4-propan-2-ylideneoxolane (PubChem CID 89206773) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-methylidene-4-propan-2-ylideneoxolane.

Molecular Properties

Compound Name3-methylidene-4-propan-2-ylideneoxolane
PubChem CID89206773
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-methylidene-4-propan-2-ylideneoxolane
SMILESC=C1COCC1=C(C)C
InChIInChI=1S/C8H12O/c1-6(2)8-5-9-4-7(8)3/h3-5H2,1-2H3
InChIKeySYWNPYPGVQAICV-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-propan-2-ylideneoxolane?
The IUPAC name of 3-methylidene-4-propan-2-ylideneoxolane (CID 89206773) is 3-methylidene-4-propan-2-ylideneoxolane.
What is the SMILES notation for 3-methylidene-4-propan-2-ylideneoxolane?
The canonical SMILES for 3-methylidene-4-propan-2-ylideneoxolane is C=C1COCC1=C(C)C.
What is the InChIKey of 3-methylidene-4-propan-2-ylideneoxolane?
The InChIKey is SYWNPYPGVQAICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6(2)8-5-9-4-7(8)3/h3-5H2,1-2H3.
What are the key properties of 3-methylidene-4-propan-2-ylideneoxolane?
3-methylidene-4-propan-2-ylideneoxolane has a molecular weight of 124.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-propan-2-ylideneoxolane is sourced from PubChem (CID 89206773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).