6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran

C11H16O — CID 44631602

IUPAC6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran
SMILESC=C(C)C1CC=C2CCOC2C1
InChIInChI=1S/C11H16O/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3,10-11H,1,4-7H2,2H3
InChIKeySRTKAWYNHRFNEJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds1

About 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran

6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran (PubChem CID 44631602) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran.

Molecular Properties

Compound Name6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran
PubChem CID44631602
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran
SMILESC=C(C)C1CC=C2CCOC2C1
InChIInChI=1S/C11H16O/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3,10-11H,1,4-7H2,2H3
InChIKeySRTKAWYNHRFNEJ-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran with MolForge

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Launch Full Analysis

Related Compounds

Theaspirane
CID 61953
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
2H-Pyran, 5,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990785
Methyl piperitol
CID 12284330

Frequently Asked Questions

What is the IUPAC name of 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran?
The IUPAC name of 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran (CID 44631602) is 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran.
What is the SMILES notation for 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran?
The canonical SMILES for 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran is C=C(C)C1CC=C2CCOC2C1.
What is the InChIKey of 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran?
The InChIKey is SRTKAWYNHRFNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3,10-11H,1,4-7H2,2H3.
What are the key properties of 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran?
6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran has a molecular weight of 164.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-en-2-yl-2,3,5,6,7,7a-hexahydro-1-benzofuran is sourced from PubChem (CID 44631602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).