3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan

C15H20O — CID 66803573

IUPAC3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan
SMILESC=C1COC2C1CCC(=C)C1CCC(=C)C12
InChIInChI=1S/C15H20O/c1-9-4-7-13-11(3)8-16-15(13)14-10(2)5-6-12(9)14/h12-15H,1-8H2
InChIKeyOXUWPFUXQFSFPP-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.49
Rot. Bonds

About 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan

3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan (PubChem CID 66803573) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan.

Molecular Properties

Compound Name3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan
PubChem CID66803573
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan
SMILESC=C1COC2C1CCC(=C)C1CCC(=C)C12
InChIInChI=1S/C15H20O/c1-9-4-7-13-11(3)8-16-15(13)14-10(2)5-6-12(9)14/h12-15H,1-8H2
InChIKeyOXUWPFUXQFSFPP-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan?
The IUPAC name of 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan (CID 66803573) is 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan.
What is the SMILES notation for 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan?
The canonical SMILES for 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan is C=C1COC2C1CCC(=C)C1CCC(=C)C12.
What is the InChIKey of 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan?
The InChIKey is OXUWPFUXQFSFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-9-4-7-13-11(3)8-16-15(13)14-10(2)5-6-12(9)14/h12-15H,1-8H2.
What are the key properties of 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan?
3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan has a molecular weight of 216.32 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan is sourced from PubChem (CID 66803573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).