6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene

C20H26O3 — CID 141414600

IUPAC6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene
SMILESCCCC1=C2OC2(C)C(OC2C=CC(CCC)=C3OC32C)C=C1
InChIInChI=1S/C20H26O3/c1-5-7-13-9-11-15(19(3)17(13)22-19)21-16-12-10-14(8-6-2)18-20(16,4)23-18/h9-12,15-16H,5-8H2,1-4H3
InChIKeyDHUBMFGYCMQOJM-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.57
Rot. Bonds6

About 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene

6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene (PubChem CID 141414600) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene.

Molecular Properties

Compound Name6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene
PubChem CID141414600
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene
SMILESCCCC1=C2OC2(C)C(OC2C=CC(CCC)=C3OC32C)C=C1
InChIInChI=1S/C20H26O3/c1-5-7-13-9-11-15(19(3)17(13)22-19)21-16-12-10-14(8-6-2)18-20(16,4)23-18/h9-12,15-16H,5-8H2,1-4H3
InChIKeyDHUBMFGYCMQOJM-UHFFFAOYSA-N
XLogP4.57
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene?
The IUPAC name of 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene (CID 141414600) is 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene.
What is the SMILES notation for 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene?
The canonical SMILES for 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene is CCCC1=C2OC2(C)C(OC2C=CC(CCC)=C3OC32C)C=C1.
What is the InChIKey of 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene?
The InChIKey is DHUBMFGYCMQOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-5-7-13-9-11-15(19(3)17(13)22-19)21-16-12-10-14(8-6-2)18-20(16,4)23-18/h9-12,15-16H,5-8H2,1-4H3.
What are the key properties of 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene?
6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene has a molecular weight of 314.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(1-methyl-5-propyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-yl)oxy]-2-propyl-7-oxabicyclo[4.1.0]hepta-1,3-diene is sourced from PubChem (CID 141414600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).