(3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan

C16H20O — CID 153419127

IUPAC(3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan
SMILESC=C1O[C@@H]2[C@H]3C(=C)CC[C@H]3C(=C)CC[C@H]2C1=C
InChIInChI=1S/C16H20O/c1-9-5-8-14-11(3)12(4)17-16(14)15-10(2)6-7-13(9)15/h13-16H,1-8H2/t13-,14-,15-,16-/m0/s1
InChIKeyZFDVHAXNOQUZKO-VGWMRTNUSA-N
MW228.33 g/mol
LogP4.00
Rot. Bonds

About (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan

(3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan (PubChem CID 153419127) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan.

Molecular Properties

Compound Name(3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan
PubChem CID153419127
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name(3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan
SMILESC=C1O[C@@H]2[C@H]3C(=C)CC[C@H]3C(=C)CC[C@H]2C1=C
InChIInChI=1S/C16H20O/c1-9-5-8-14-11(3)12(4)17-16(14)15-10(2)6-7-13(9)15/h13-16H,1-8H2/t13-,14-,15-,16-/m0/s1
InChIKeyZFDVHAXNOQUZKO-VGWMRTNUSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan?
The IUPAC name of (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan (CID 153419127) is (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan.
What is the SMILES notation for (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan?
The canonical SMILES for (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan is C=C1O[C@@H]2[C@H]3C(=C)CC[C@H]3C(=C)CC[C@H]2C1=C.
What is the InChIKey of (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan?
The InChIKey is ZFDVHAXNOQUZKO-VGWMRTNUSA-N. The full InChI is InChI=1S/C16H20O/c1-9-5-8-14-11(3)12(4)17-16(14)15-10(2)6-7-13(9)15/h13-16H,1-8H2/t13-,14-,15-,16-/m0/s1.
What are the key properties of (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan?
(3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan has a molecular weight of 228.33 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan is sourced from PubChem (CID 153419127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).