(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene

C13H18O2 — CID 147197844

IUPAC(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
SMILESCCC[C@H]1Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C13H18O2/c1-4-5-9-6-10-7-12(14-2)13(15-3)8-11(9)10/h7-9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyCCSPZRGXLWBHOU-VIFPVBQESA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds4

About (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene

(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 147197844) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
PubChem CID147197844
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
SMILESCCC[C@H]1Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C13H18O2/c1-4-5-9-6-10-7-12(14-2)13(15-3)8-11(9)10/h7-9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyCCSPZRGXLWBHOU-VIFPVBQESA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene with MolForge

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Related Compounds

3-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]propan-1-amine
CID 68972528
7-(iodomethyl)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene
CID 46849743
1-[(7R)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N,N-dimethylmethanamine
CID 175747114
2-(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
CID 19092198
[(7S)-7-(aminomethyl)-4-methoxy-3-bicyclo[4.2.0]octa-1,3,5-trienyl] hypochlorite
CID 134409805
N'-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-N'-methylethane-1,2-diamine
CID 68533266
1-(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 84633542
6,7-dimethoxy-2,2-dimethyl-1-propyl-3,4-dihydro-1H-isoquinolin-2-ium
CID 11995457
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 69034785
(5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane
CID 142881740
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile;sulfane
CID 159291041

Frequently Asked Questions

What is the IUPAC name of (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene (CID 147197844) is (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene is CCC[C@H]1Cc2cc(OC)c(OC)cc21.
What is the InChIKey of (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is CCSPZRGXLWBHOU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18O2/c1-4-5-9-6-10-7-12(14-2)13(15-3)8-11(9)10/h7-9H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene?
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 206.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 147197844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).