8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene

C16H26O2 — CID 3700777

IUPAC8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene
SMILESCCOC1CCC2C=C(C)C=C(C(C)(C)C)C2O1
InChIInChI=1S/C16H26O2/c1-6-17-14-8-7-12-9-11(2)10-13(15(12)18-14)16(3,4)5/h9-10,12,14-15H,6-8H2,1-5H3
InChIKeySWVDWPZEYLZLIY-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.08
Rot. Bonds2

About 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene

8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene (PubChem CID 3700777) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene.

Molecular Properties

Compound Name8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene
PubChem CID3700777
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene
SMILESCCOC1CCC2C=C(C)C=C(C(C)(C)C)C2O1
InChIInChI=1S/C16H26O2/c1-6-17-14-8-7-12-9-11(2)10-13(15(12)18-14)16(3,4)5/h9-10,12,14-15H,6-8H2,1-5H3
InChIKeySWVDWPZEYLZLIY-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene?
The IUPAC name of 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene (CID 3700777) is 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene.
What is the SMILES notation for 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene?
The canonical SMILES for 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene is CCOC1CCC2C=C(C)C=C(C(C)(C)C)C2O1.
What is the InChIKey of 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene?
The InChIKey is SWVDWPZEYLZLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-17-14-8-7-12-9-11(2)10-13(15(12)18-14)16(3,4)5/h9-10,12,14-15H,6-8H2,1-5H3.
What are the key properties of 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene?
8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene has a molecular weight of 250.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene is sourced from PubChem (CID 3700777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).