2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one

C15H24O2 — CID 6427512

IUPAC2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
SMILESC=C[C@@]1(C)CC[C@H](C(C)C(=O)CC=C(C)C)O1
InChIInChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12?,14-,15+/m1/s1
InChIKeyFJKKZNIYYVEYOL-UCWKZMIHSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds5

About 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one

2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one (PubChem CID 6427512) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one.

Molecular Properties

Compound Name2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
PubChem CID6427512
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
SMILESC=C[C@@]1(C)CC[C@H](C(C)C(=O)CC=C(C)C)O1
InChIInChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12?,14-,15+/m1/s1
InChIKeyFJKKZNIYYVEYOL-UCWKZMIHSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one with MolForge

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

Launch Full Analysis

Related Compounds

Norodovanone
CID 45112410
Davanone
CID 519782
2-Hydroxyisodavanone D
CID 12132773
Hydroxydavanone
CID 5477854
Artemone
CID 182020
trans-Hydroxydavanone
CID 102441806
Davanone D
CID 88556
Ipomeamaronolide
CID 101593496
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441804
(2S,4Z)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-5-hydroxy-6-methylhepta-4,6-dien-3-one
CID 12132772
4-Hepten-3-one, 2-[(2S,5R)-5-ethenyltetrahydro-5-methyl-2-furanyl]-6-hydroxy-6-methyl-, (2R,4E)-
CID 71744967
(E,2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroxy-6-methylhept-4-en-3-one
CID 163189246

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one?
The IUPAC name of 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one (CID 6427512) is 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one.
What is the SMILES notation for 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one?
The canonical SMILES for 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one is C=C[C@@]1(C)CC[C@H](C(C)C(=O)CC=C(C)C)O1.
What is the InChIKey of 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one?
The InChIKey is FJKKZNIYYVEYOL-UCWKZMIHSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12?,14-,15+/m1/s1.
What are the key properties of 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one?
2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one has a molecular weight of 236.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one is sourced from PubChem (CID 6427512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).