(3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran

C15H26O — CID 134511769

IUPAC(3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran
SMILESCC1(C)CCC[C@]2(C)[C@@H]3CCO[C@H]3CC[C@@H]12
InChIInChI=1S/C15H26O/c1-14(2)8-4-9-15(3)11-7-10-16-12(11)5-6-13(14)15/h11-13H,4-10H2,1-3H3/t11-,12+,13+,15-/m1/s1
InChIKeyIPEPBOBQYDJNON-UKTARXLSSA-N
MW222.37 g/mol
LogP4.02
Rot. Bonds

About (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran

(3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran (PubChem CID 134511769) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran.

Molecular Properties

Compound Name(3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran
PubChem CID134511769
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran
SMILESCC1(C)CCC[C@]2(C)[C@@H]3CCO[C@H]3CC[C@@H]12
InChIInChI=1S/C15H26O/c1-14(2)8-4-9-15(3)11-7-10-16-12(11)5-6-13(14)15/h11-13H,4-10H2,1-3H3/t11-,12+,13+,15-/m1/s1
InChIKeyIPEPBOBQYDJNON-UKTARXLSSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran with MolForge

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Related Compounds

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CID 11107366
(3aS,5aS,9aR,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838595
(1S,3aS,7aR)-1-methoxy-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 90388768
(4aS,6aR,7R,11aS,11bR)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran
CID 162975531
(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 15600013
3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 619276
4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]
CID 91196169
(8aR)-1-ethyl-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 91148268
(1S,2S,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carbaldehyde
CID 14106834
(4aR,10aS,10bR)-3,3,4a,7,7,10a-hexamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
CID 134865617
4,4,11b-trimethyl-2,3,4a,5,6,6a,11,11a-octahydro-1H-cyclohepta[a]naphthalene-8,9-dicarbaldehyde
CID 162930383

Frequently Asked Questions

What is the IUPAC name of (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran?
The IUPAC name of (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran (CID 134511769) is (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran.
What is the SMILES notation for (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran?
The canonical SMILES for (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran is CC1(C)CCC[C@]2(C)[C@@H]3CCO[C@H]3CC[C@@H]12.
What is the InChIKey of (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran?
The InChIKey is IPEPBOBQYDJNON-UKTARXLSSA-N. The full InChI is InChI=1S/C15H26O/c1-14(2)8-4-9-15(3)11-7-10-16-12(11)5-6-13(14)15/h11-13H,4-10H2,1-3H3/t11-,12+,13+,15-/m1/s1.
What are the key properties of (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran?
(3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran has a molecular weight of 222.37 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5aS,9aS,9bS)-6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran is sourced from PubChem (CID 134511769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).