4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane

C14H26O — CID 144506345

IUPAC4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane
SMILESCC.CC.CC1=C2CCOC2=C(C)CC1
InChIInChI=1S/C10H14O.2C2H6/c1-7-3-4-8(2)10-9(7)5-6-11-10;2*1-2/h3-6H2,1-2H3;2*1-2H3
InChIKeyFAYPNVMCBHBQPY-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.84
Rot. Bonds

About 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane

4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane (PubChem CID 144506345) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane.

Molecular Properties

Compound Name4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane
PubChem CID144506345
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane
SMILESCC.CC.CC1=C2CCOC2=C(C)CC1
InChIInChI=1S/C10H14O.2C2H6/c1-7-3-4-8(2)10-9(7)5-6-11-10;2*1-2/h3-6H2,1-2H3;2*1-2H3
InChIKeyFAYPNVMCBHBQPY-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 143987366
4,6,7-trimethyl-3,5-dihydro-2H-furo[2,3-d]pyridazine
CID 143996388
4,7-difluoro-3,8-dimethyl-2,6,9,10-tetrahydro-1H-benzo[c]chromene
CID 143998626
ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan
CID 143900403
4-iodo-5-methyl-2,3-dihydrofuran
CID 53376968
trimethyl-[(4-methyl-2,3-dihydrofuran-5-yl)oxy]silane
CID 13122638
4-bromo-3,6-dihydro-2H-1-benzofuran-7-one
CID 175392448
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran
CID 89192695
5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine
CID 139204810
ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine
CID 145497461
1-bromo-2-methylcyclobutene
CID 45090410

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane?
The IUPAC name of 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane (CID 144506345) is 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane.
What is the SMILES notation for 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane?
The canonical SMILES for 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane is CC.CC.CC1=C2CCOC2=C(C)CC1.
What is the InChIKey of 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane?
The InChIKey is FAYPNVMCBHBQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.2C2H6/c1-7-3-4-8(2)10-9(7)5-6-11-10;2*1-2/h3-6H2,1-2H3;2*1-2H3.
What are the key properties of 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane?
4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane has a molecular weight of 210.36 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane is sourced from PubChem (CID 144506345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).