(7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione

C14H18O3 — CID 5314797

IUPAC(7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione
SMILESC=CCC12C(=O)C=C(OC)C(=O)C1[C@@H](C)C2C
InChIInChI=1S/C14H18O3/c1-5-6-14-9(3)8(2)12(14)13(16)10(17-4)7-11(14)15/h5,7-9,12H,1,6H2,2-4H3/t8-,9?,12?,14?/m0/s1
InChIKeyCGFMWSYJYCECAK-DJZOFGEXSA-N
MW234.29 g/mol
LogP2.13
Rot. Bonds3

About (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione

(7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione (PubChem CID 5314797) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione.

Molecular Properties

Compound Name(7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione
PubChem CID5314797
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione
SMILESC=CCC12C(=O)C=C(OC)C(=O)C1[C@@H](C)C2C
InChIInChI=1S/C14H18O3/c1-5-6-14-9(3)8(2)12(14)13(16)10(17-4)7-11(14)15/h5,7-9,12H,1,6H2,2-4H3/t8-,9?,12?,14?/m0/s1
InChIKeyCGFMWSYJYCECAK-DJZOFGEXSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione 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

(6S,7R)-7-ethenyl-2-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-dione
CID 162911881
(4aR,8aS)-2-methoxy-8a-methyl-3-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 101358444
3,4-Dimethoxy-7-methyltricyclo[5.3.1.01,6]undeca-3,8-diene-2,5-dione
CID 67669385
3,4-Dimethoxytricyclo[5.3.1.01,6]undeca-3,8-diene-2,5-dione
CID 67670827
8a-ethyl-3-methoxy-7,8-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 145372186
(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 5314441
(1S)-3-methoxy-1,7,8-trimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 5314443
2-methoxy-8a-methyl-7-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 5314499
(8R,8aR)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 5314516
(8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 5314517
(8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione;propane
CID 5314518
4-Methoxy-2-methyltricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 5314529

Frequently Asked Questions

What is the IUPAC name of (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The IUPAC name of (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione (CID 5314797) is (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione.
What is the SMILES notation for (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The canonical SMILES for (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione is C=CCC12C(=O)C=C(OC)C(=O)C1[C@@H](C)C2C.
What is the InChIKey of (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The InChIKey is CGFMWSYJYCECAK-DJZOFGEXSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-6-14-9(3)8(2)12(14)13(16)10(17-4)7-11(14)15/h5,7-9,12H,1,6H2,2-4H3/t8-,9?,12?,14?/m0/s1.
What are the key properties of (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione?
(7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione has a molecular weight of 234.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-methoxy-7,8-dimethyl-1-prop-2-enylbicyclo[4.2.0]oct-3-ene-2,5-dione is sourced from PubChem (CID 5314797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).