6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol

C10H18O2 — CID 70311588

IUPAC6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol
SMILESCC1CCC2C(O)COC2C1C
InChIInChI=1S/C10H18O2/c1-6-3-4-8-9(11)5-12-10(8)7(6)2/h6-11H,3-5H2,1-2H3
InChIKeyUEEOXSRPGCUNSU-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.43
Rot. Bonds

About 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol

6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol (PubChem CID 70311588) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol
PubChem CID70311588
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol
SMILESCC1CCC2C(O)COC2C1C
InChIInChI=1S/C10H18O2/c1-6-3-4-8-9(11)5-12-10(8)7(6)2/h6-11H,3-5H2,1-2H3
InChIKeyUEEOXSRPGCUNSU-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol?
The IUPAC name of 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol (CID 70311588) is 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol.
What is the SMILES notation for 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol?
The canonical SMILES for 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol is CC1CCC2C(O)COC2C1C.
What is the InChIKey of 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol?
The InChIKey is UEEOXSRPGCUNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-3-4-8-9(11)5-12-10(8)7(6)2/h6-11H,3-5H2,1-2H3.
What are the key properties of 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol?
6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol is sourced from PubChem (CID 70311588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).