5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran

C11H20O — CID 123136118

IUPAC5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
SMILESCC(C)C1CCC2COCC2C1
InChIInChI=1S/C11H20O/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h8-11H,3-7H2,1-2H3
InChIKeyCCOLMKTWNDJYOR-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.71
Rot. Bonds1

About 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran

5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran (PubChem CID 123136118) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran.

Molecular Properties

Compound Name5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
PubChem CID123136118
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
SMILESCC(C)C1CCC2COCC2C1
InChIInChI=1S/C11H20O/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h8-11H,3-7H2,1-2H3
InChIKeyCCOLMKTWNDJYOR-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-yl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 143811684
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 146652691
2-methyl-6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123673492
(3aS,7aR)-5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 167189775
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
propan-2-ylcyclopropane;hydroiodide
CID 162314014
2-tert-butyl-5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 174199616
5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran;propane
CID 164925413
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423201
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran?
The IUPAC name of 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran (CID 123136118) is 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran.
What is the SMILES notation for 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran?
The canonical SMILES for 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran is CC(C)C1CCC2COCC2C1.
What is the InChIKey of 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran?
The InChIKey is CCOLMKTWNDJYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran?
5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran has a molecular weight of 168.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran is sourced from PubChem (CID 123136118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).