dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate

C18H24O6 — CID 10382367

IUPACdimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
SMILESC=CCCCCC[C@]12CCC(=O)[C@H](O1)C(C(=O)OC)=C2C(=O)OC
InChIInChI=1S/C18H24O6/c1-4-5-6-7-8-10-18-11-9-12(19)15(24-18)13(16(20)22-2)14(18)17(21)23-3/h4,15H,1,5-11H2,2-3H3/t15-,18+/m0/s1
InChIKeyZUZAPSOPWOAFOX-MAUKXSAKSA-N
MW336.38 g/mol
LogP2.27
Rot. Bonds8

About dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate

dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate (PubChem CID 10382367) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
PubChem CID10382367
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Namedimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
SMILESC=CCCCCC[C@]12CCC(=O)[C@H](O1)C(C(=O)OC)=C2C(=O)OC
InChIInChI=1S/C18H24O6/c1-4-5-6-7-8-10-18-11-9-12(19)15(24-18)13(16(20)22-2)14(18)17(21)23-3/h4,15H,1,5-11H2,2-3H3/t15-,18+/m0/s1
InChIKeyZUZAPSOPWOAFOX-MAUKXSAKSA-N
XLogP2.27
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate 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

13-Epi-Scabrolide C
CID 11078957
methyl (1S,5R,7E,11E,14R)-10-butan-2-yloxy-7-methyl-3,9-dioxo-14-prop-1-en-2-yl-4,16-dioxatricyclo[10.3.1.12,5]heptadeca-2(17),7,11-triene-11-carboxylate
CID 44445630
Scabrolide C
CID 21603541
(1S,3R,9S,13S)-1-Methyl-9-(1-methylethenyl)-4,16-dioxatricyclo[11.2.1.13,6]heptadec-6(17)-ene-5,11,14-trione
CID 21635775
Norcembrene 5
CID 21725162
Norcembrenolide
CID 101036106
4,5,6-Tri-O-acetyl hygrophorone A12
CID 11235980
[(4S,5S,7Z,10R,11R)-7-methyl-6,9,13-trioxo-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-dien-5-yl] acetate
CID 11560083
methyl (1S,5R,7R,10S,11E,14R)-7-methyl-3,9-dioxo-14-prop-1-en-2-yl-4,16,17-trioxatetracyclo[10.3.1.12,5.17,10]octadeca-2(18),11-diene-11-carboxylate
CID 23625707
(1S,3R,9S,13R)-1-methyl-9-prop-1-en-2-yl-4,16-dioxatricyclo[11.2.1.13,6]heptadec-6(17)-ene-5,11,14-trione
CID 10688011
Gyrosanolide E
CID 46888448
methyl (1S,5E,8S,12S)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate
CID 46888489

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate?
The IUPAC name of dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate (CID 10382367) is dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate.
What is the SMILES notation for dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate?
The canonical SMILES for dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate is C=CCCCCC[C@]12CCC(=O)[C@H](O1)C(C(=O)OC)=C2C(=O)OC.
What is the InChIKey of dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate?
The InChIKey is ZUZAPSOPWOAFOX-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H24O6/c1-4-5-6-7-8-10-18-11-9-12(19)15(24-18)13(16(20)22-2)14(18)17(21)23-3/h4,15H,1,5-11H2,2-3H3/t15-,18+/m0/s1.
What are the key properties of dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate?
dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate has a molecular weight of 336.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate is sourced from PubChem (CID 10382367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).