(3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one

C10H14O2 — CID 101282733

IUPAC(3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one
SMILESC=C(C)/C=C/[C@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+/t8-,9+/m1/s1
InChIKeyVOJBXZDIFIJUKD-VJIGKBMESA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds2

About (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one

(3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one (PubChem CID 101282733) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one
PubChem CID101282733
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one
SMILESC=C(C)/C=C/[C@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+/t8-,9+/m1/s1
InChIKeyVOJBXZDIFIJUKD-VJIGKBMESA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

Marmelolactone A
CID 101282726
6-Oxabicyclo[3.2.1]oct-3-en-7-one
CID 376759
Ctk1B5122
CID 11126247
(5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one
CID 162655447
Berkedienolactone
CID 57379199
3-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]oxolan-2-one
CID 131751904
(3S,5S)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one
CID 162990243
3-Methyl-5-(3-methylbuta-1,3-dienyl)oxolan-2-one
CID 54402421
(5S)-5-[(Z)-but-1-enyl]oxolan-2-one
CID 163092536
3,3a,4,6a-Tetrahydro-2H-cyclopenta[b]furan-2-one
CID 556356
(z)-5-Octen-4-olide
CID 101643625
(5S)-5-[(1E,3E)-hexa-1,3-dienyl]oxolan-2-one
CID 10797137

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one?
The IUPAC name of (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one (CID 101282733) is (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one?
The canonical SMILES for (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one is C=C(C)/C=C/[C@H]1C[C@@H](C)C(=O)O1.
What is the InChIKey of (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one?
The InChIKey is VOJBXZDIFIJUKD-VJIGKBMESA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+/t8-,9+/m1/s1.
What are the key properties of (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one?
(3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one is sourced from PubChem (CID 101282733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).