(3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran

C19H28O — CID 139609240

IUPAC(3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran
SMILESCC1=CC2=CC[C@H]3[C@@H]4COC[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
InChIInChI=1S/C19H28O/c1-13-6-9-19(3)14(10-13)4-5-15-16(19)7-8-18(2)12-20-11-17(15)18/h4,10,15-17H,5-9,11-12H2,1-3H3/t15-,16+,17+,18-,19+/m1/s1
InChIKeyQKTXWFWODPOZAI-SPOLIRPYSA-N
MW272.43 g/mol
LogP4.74
Rot. Bonds

About (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran

(3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran (PubChem CID 139609240) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran.

Molecular Properties

Compound Name(3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran
PubChem CID139609240
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran
SMILESCC1=CC2=CC[C@H]3[C@@H]4COC[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
InChIInChI=1S/C19H28O/c1-13-6-9-19(3)14(10-13)4-5-15-16(19)7-8-18(2)12-20-11-17(15)18/h4,10,15-17H,5-9,11-12H2,1-3H3/t15-,16+,17+,18-,19+/m1/s1
InChIKeyQKTXWFWODPOZAI-SPOLIRPYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran 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,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran?
The IUPAC name of (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran (CID 139609240) is (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran.
What is the SMILES notation for (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran?
The canonical SMILES for (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran is CC1=CC2=CC[C@H]3[C@@H]4COC[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1.
What is the InChIKey of (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran?
The InChIKey is QKTXWFWODPOZAI-SPOLIRPYSA-N. The full InChI is InChI=1S/C19H28O/c1-13-6-9-19(3)14(10-13)4-5-15-16(19)7-8-18(2)12-20-11-17(15)18/h4,10,15-17H,5-9,11-12H2,1-3H3/t15-,16+,17+,18-,19+/m1/s1.
What are the key properties of (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran?
(3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran has a molecular weight of 272.43 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bR,9aR,9bS,11aS)-7,9a,11a-trimethyl-1,3,3a,3b,4,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran is sourced from PubChem (CID 139609240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).