4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane

C10H16O — CID 86247097

IUPAC4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane
SMILESC=C(C)C=CC1CC(C)CO1
InChIInChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3
InChIKeySULWOTZUSYCRIP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.54
Rot. Bonds2

About 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane

4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane (PubChem CID 86247097) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane.

Molecular Properties

Compound Name4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane
PubChem CID86247097
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane
SMILESC=C(C)C=CC1CC(C)CO1
InChIInChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3
InChIKeySULWOTZUSYCRIP-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.54
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 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane?
The IUPAC name of 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane (CID 86247097) is 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane.
What is the SMILES notation for 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane?
The canonical SMILES for 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane is C=C(C)C=CC1CC(C)CO1.
What is the InChIKey of 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane?
The InChIKey is SULWOTZUSYCRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3.
What are the key properties of 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane?
4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane has a molecular weight of 152.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbuta-1,3-dienyl)oxolane is sourced from PubChem (CID 86247097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).