(4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one

C11H16O2 — CID 138504036

IUPAC(4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one
SMILESC=C1C(=O)C=C[C@H]1COC(C)(C)C
InChIInChI=1S/C11H16O2/c1-8-9(5-6-10(8)12)7-13-11(2,3)4/h5-6,9H,1,7H2,2-4H3/t9-/m0/s1
InChIKeyXAVXMUBJOHSUAV-VIFPVBQESA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds2

About (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one

(4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one (PubChem CID 138504036) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one
PubChem CID138504036
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one
SMILESC=C1C(=O)C=C[C@H]1COC(C)(C)C
InChIInChI=1S/C11H16O2/c1-8-9(5-6-10(8)12)7-13-11(2,3)4/h5-6,9H,1,7H2,2-4H3/t9-/m0/s1
InChIKeyXAVXMUBJOHSUAV-VIFPVBQESA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one (CID 138504036) is (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one is C=C1C(=O)C=C[C@H]1COC(C)(C)C.
What is the InChIKey of (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one?
The InChIKey is XAVXMUBJOHSUAV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16O2/c1-8-9(5-6-10(8)12)7-13-11(2,3)4/h5-6,9H,1,7H2,2-4H3/t9-/m0/s1.
What are the key properties of (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one?
(4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 138504036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).