2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran

C14H20O — CID 58136174

IUPAC2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1=C(C)C2C(C)=C(C)C(C)=C(C)C2O1
InChIInChI=1S/C14H20O/c1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-14/h13-14H,1-6H3
InChIKeyJNZOBBXXYXAGHA-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.98
Rot. Bonds

About 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran

2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran (PubChem CID 58136174) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran
PubChem CID58136174
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1=C(C)C2C(C)=C(C)C(C)=C(C)C2O1
InChIInChI=1S/C14H20O/c1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-14/h13-14H,1-6H3
InChIKeyJNZOBBXXYXAGHA-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran?
The IUPAC name of 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran (CID 58136174) is 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran.
What is the SMILES notation for 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran?
The canonical SMILES for 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran is CC1=C(C)C2C(C)=C(C)C(C)=C(C)C2O1.
What is the InChIKey of 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran?
The InChIKey is JNZOBBXXYXAGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-14/h13-14H,1-6H3.
What are the key properties of 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran?
2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran has a molecular weight of 204.31 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1-benzofuran is sourced from PubChem (CID 58136174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).