4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan

C11H16O — CID 10607117

IUPAC4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
SMILESCC1=CCCC(C)=C2COCC12
InChIInChI=1S/C11H16O/c1-8-4-3-5-9(2)11-7-12-6-10(8)11/h4,10H,3,5-7H2,1-2H3
InChIKeyLLBXAMLQWKVMED-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds

About 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan

4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan (PubChem CID 10607117) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan.

Molecular Properties

Compound Name4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
PubChem CID10607117
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
SMILESCC1=CCCC(C)=C2COCC12
InChIInChI=1S/C11H16O/c1-8-4-3-5-9(2)11-7-12-6-10(8)11/h4,10H,3,5-7H2,1-2H3
InChIKeyLLBXAMLQWKVMED-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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'}

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Related Compounds

3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 11116125
8-methyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 11768749
(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
CID 101190095
(6R,8aS)-5,5,6-trimethyl-1,3,6,8a-tetrahydrocyclohepta[c]furan
CID 101838181
(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane
CID 102509710
(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
CID 134931636
(4Z)-3-ethenyl-4-pentylideneoxolane
CID 134995544
(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 139250131
Tetrahydrofuran, 2-isobutenyl-4-vinyl-
CID 550408
4-Methyl-2-(2-methylprop-1-enyl)oxolane
CID 10154097
2,2-Dimethyl-4-propylideneoxolane
CID 90901579
3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan
CID 123288393

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan?
The IUPAC name of 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan (CID 10607117) is 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan.
What is the SMILES notation for 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan?
The canonical SMILES for 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan is CC1=CCCC(C)=C2COCC12.
What is the InChIKey of 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan?
The InChIKey is LLBXAMLQWKVMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-4-3-5-9(2)11-7-12-6-10(8)11/h4,10H,3,5-7H2,1-2H3.
What are the key properties of 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan?
4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan has a molecular weight of 164.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan is sourced from PubChem (CID 10607117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).