6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran

C18H26O2 — CID 21485246

IUPAC6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC(/C=C/CC(C)(C)C)Oc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C18H26O2/c1-13(7-6-10-18(3,4)5)19-16-9-8-15-11-14(2)20-17(15)12-16/h6-9,12-14H,10-11H2,1-5H3/b7-6+
InChIKeyRSGOMOWDBCMABR-VOTSOKGWSA-N
MW274.40 g/mol
LogP4.77
Rot. Bonds4

About 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran

6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 21485246) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID21485246
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC(/C=C/CC(C)(C)C)Oc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C18H26O2/c1-13(7-6-10-18(3,4)5)19-16-9-8-15-11-14(2)20-17(15)12-16/h6-9,12-14H,10-11H2,1-5H3/b7-6+
InChIKeyRSGOMOWDBCMABR-VOTSOKGWSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485204
6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran
CID 21485191
1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethanol
CID 135313148
6-[(E)-6-ethoxy-3,6-dimethylhept-2-enoxy]-2-methyl-2,3-dihydro-1-benzofuran
CID 70638608
6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran
CID 54221554
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485171
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
(2R)-2-methyl-8-[(1S)-1-phenylethoxy]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121271713
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
CID 83480135

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran (CID 21485246) is 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran is CC(/C=C/CC(C)(C)C)Oc1ccc2c(c1)OC(C)C2.
What is the InChIKey of 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is RSGOMOWDBCMABR-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H26O2/c1-13(7-6-10-18(3,4)5)19-16-9-8-15-11-14(2)20-17(15)12-16/h6-9,12-14H,10-11H2,1-5H3/b7-6+.
What are the key properties of 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran?
6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 274.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 21485246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).