2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane

C11H18O — CID 89002063

IUPAC2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane
SMILESC=C/C(C)=C\C1CC(C)OC1C
InChIInChI=1S/C11H18O/c1-5-8(2)6-11-7-9(3)12-10(11)4/h5-6,9-11H,1,7H2,2-4H3/b8-6-
InChIKeyOPMNIGZDQLIQCG-VURMDHGXSA-N
MW166.26 g/mol
LogP2.93
Rot. Bonds2

About 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane

2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane (PubChem CID 89002063) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane.

Molecular Properties

Compound Name2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane
PubChem CID89002063
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane
SMILESC=C/C(C)=C\C1CC(C)OC1C
InChIInChI=1S/C11H18O/c1-5-8(2)6-11-7-9(3)12-10(11)4/h5-6,9-11H,1,7H2,2-4H3/b8-6-
InChIKeyOPMNIGZDQLIQCG-VURMDHGXSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane?
The IUPAC name of 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane (CID 89002063) is 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane.
What is the SMILES notation for 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane?
The canonical SMILES for 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane is C=C/C(C)=C\C1CC(C)OC1C.
What is the InChIKey of 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane?
The InChIKey is OPMNIGZDQLIQCG-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18O/c1-5-8(2)6-11-7-9(3)12-10(11)4/h5-6,9-11H,1,7H2,2-4H3/b8-6-.
What are the key properties of 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane?
2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane has a molecular weight of 166.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]oxolane is sourced from PubChem (CID 89002063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).