(3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran

C20H34O — CID 101333827

IUPAC(3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC[C@H]4COC[C@H]4[C@]3(C)CC[C@@H]12
InChIInChI=1S/C20H34O/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15-13-21-12-14(15)6-7-17(19)20/h14-17H,5-13H2,1-4H3/t14-,15+,16-,17-,19-,20-/m0/s1
InChIKeySAXSHFDCJZQLLD-KCMORZRYSA-N
MW290.49 g/mol
LogP5.29
Rot. Bonds

About (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran

(3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran (PubChem CID 101333827) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran.

Molecular Properties

Compound Name(3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran
PubChem CID101333827
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC[C@H]4COC[C@H]4[C@]3(C)CC[C@@H]12
InChIInChI=1S/C20H34O/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15-13-21-12-14(15)6-7-17(19)20/h14-17H,5-13H2,1-4H3/t14-,15+,16-,17-,19-,20-/m0/s1
InChIKeySAXSHFDCJZQLLD-KCMORZRYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[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

Related Compounds

(-)-Ambroxide
CID 10857465
Cetalox
CID 107166
Dodecahydro-3a,5,5-trimethylnaphtho(2,3-c)furan
CID 11458725
8,12-Epoxy-13,14,15,16-tetranorlabdane
CID 11861328
(3aS,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838593
(3aR,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 2728768
Dodecahydro-3a,8,8-trimethylnaphtho(2,3-c)furan
CID 56842953
(3aR,5aS,9aS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 10900637
Amber naphthofuran
CID 11413693
(3aR,5aS,9aS,9bS)-Dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan
CID 6977166
Methoxy stigmastane
CID 129853517
3a-Ethyl-6,6,9a-trimethyldodecahydronaphtho[2,1-b]furan
CID 21909228

Frequently Asked Questions

What is the IUPAC name of (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran?
The IUPAC name of (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran (CID 101333827) is (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran.
What is the SMILES notation for (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran?
The canonical SMILES for (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran is CC1(C)CCC[C@]2(C)[C@H]3CC[C@H]4COC[C@H]4[C@]3(C)CC[C@@H]12.
What is the InChIKey of (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran?
The InChIKey is SAXSHFDCJZQLLD-KCMORZRYSA-N. The full InChI is InChI=1S/C20H34O/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15-13-21-12-14(15)6-7-17(19)20/h14-17H,5-13H2,1-4H3/t14-,15+,16-,17-,19-,20-/m0/s1.
What are the key properties of (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran?
(3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran has a molecular weight of 290.49 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran is sourced from PubChem (CID 101333827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).