4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one

C11H18O3 — CID 130332811

IUPAC4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one
SMILESC=C(OC1COC(=O)C1)C(C)(C)CC
InChIInChI=1S/C11H18O3/c1-5-11(3,4)8(2)14-9-6-10(12)13-7-9/h9H,2,5-7H2,1,3-4H3
InChIKeyYDCUCXZNJXNBEC-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.27
Rot. Bonds4

About 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one

4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one (PubChem CID 130332811) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one.

Molecular Properties

Compound Name4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one
PubChem CID130332811
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one
SMILESC=C(OC1COC(=O)C1)C(C)(C)CC
InChIInChI=1S/C11H18O3/c1-5-11(3,4)8(2)14-9-6-10(12)13-7-9/h9H,2,5-7H2,1,3-4H3
InChIKeyYDCUCXZNJXNBEC-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one?
The IUPAC name of 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one (CID 130332811) is 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one.
What is the SMILES notation for 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one?
The canonical SMILES for 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one is C=C(OC1COC(=O)C1)C(C)(C)CC.
What is the InChIKey of 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one?
The InChIKey is YDCUCXZNJXNBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-11(3,4)8(2)14-9-6-10(12)13-7-9/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one?
4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one has a molecular weight of 198.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one is sourced from PubChem (CID 130332811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).