(7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran

C15H24O2 — CID 91748030

IUPAC(7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran
SMILESCCOC(C)C1C=C2C(C)(C)CC=C[C@@]2(C)O1
InChIInChI=1S/C15H24O2/c1-6-16-11(2)12-10-13-14(3,4)8-7-9-15(13,5)17-12/h7,9-12H,6,8H2,1-5H3/t11?,12?,15-/m1/s1
InChIKeyVMHZYBPNRMMKGA-KOHJWAIASA-N
MW236.35 g/mol
LogP3.48
Rot. Bonds3

About (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran

(7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran (PubChem CID 91748030) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran.

Molecular Properties

Compound Name(7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran
PubChem CID91748030
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran
SMILESCCOC(C)C1C=C2C(C)(C)CC=C[C@@]2(C)O1
InChIInChI=1S/C15H24O2/c1-6-16-11(2)12-10-13-14(3,4)8-7-9-15(13,5)17-12/h7,9-12H,6,8H2,1-5H3/t11?,12?,15-/m1/s1
InChIKeyVMHZYBPNRMMKGA-KOHJWAIASA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran with MolForge

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Related Compounds

6-Ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene
CID 22219099
Edulan I
CID 521066
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
Actinidol
CID 91753284
(2S,8aR)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene
CID 6432427
(1S)-1-[(2R,7aR)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl]ethanol
CID 162999429
Edulan II
CID 6432428
(2S)-5-tert-butyl-5-(2,3-dimethyloxiran-2-yl)-2-methyl-2H-furan
CID 134971723
(2S,5R)-5-but-3-enyl-2-(methoxymethyl)-3,5-dimethyl-2H-furan
CID 11469648
5-tert-butyl-5-(2,3-dimethyloxiran-2-yl)-2-methyl-2H-furan
CID 134928349
Edulane II
CID 91747161
Actinidole
CID 91750140

Frequently Asked Questions

What is the IUPAC name of (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran?
The IUPAC name of (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran (CID 91748030) is (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran.
What is the SMILES notation for (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran?
The canonical SMILES for (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran is CCOC(C)C1C=C2C(C)(C)CC=C[C@@]2(C)O1.
What is the InChIKey of (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran?
The InChIKey is VMHZYBPNRMMKGA-KOHJWAIASA-N. The full InChI is InChI=1S/C15H24O2/c1-6-16-11(2)12-10-13-14(3,4)8-7-9-15(13,5)17-12/h7,9-12H,6,8H2,1-5H3/t11?,12?,15-/m1/s1.
What are the key properties of (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran?
(7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran has a molecular weight of 236.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-(1-ethoxyethyl)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran is sourced from PubChem (CID 91748030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).