5-hexyl-3,5-dimethyl-2H-furan

C12H22O — CID 10965170

IUPAC5-hexyl-3,5-dimethyl-2H-furan
SMILESCCCCCCC1(C)C=C(C)CO1
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-12(3)9-11(2)10-13-12/h9H,4-8,10H2,1-3H3
InChIKeyMQQVMTZWUOMWCY-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds5

About 5-hexyl-3,5-dimethyl-2H-furan

5-hexyl-3,5-dimethyl-2H-furan (PubChem CID 10965170) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-hexyl-3,5-dimethyl-2H-furan.

Molecular Properties

Compound Name5-hexyl-3,5-dimethyl-2H-furan
PubChem CID10965170
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-hexyl-3,5-dimethyl-2H-furan
SMILESCCCCCCC1(C)C=C(C)CO1
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-12(3)9-11(2)10-13-12/h9H,4-8,10H2,1-3H3
InChIKeyMQQVMTZWUOMWCY-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
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1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
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Bisabolene oxide
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(1R,2E,6S,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
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CID 44575431
(1R,2E,6R,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
CID 54585297

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3,5-dimethyl-2H-furan?
The IUPAC name of 5-hexyl-3,5-dimethyl-2H-furan (CID 10965170) is 5-hexyl-3,5-dimethyl-2H-furan.
What is the SMILES notation for 5-hexyl-3,5-dimethyl-2H-furan?
The canonical SMILES for 5-hexyl-3,5-dimethyl-2H-furan is CCCCCCC1(C)C=C(C)CO1.
What is the InChIKey of 5-hexyl-3,5-dimethyl-2H-furan?
The InChIKey is MQQVMTZWUOMWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-5-6-7-8-12(3)9-11(2)10-13-12/h9H,4-8,10H2,1-3H3.
What are the key properties of 5-hexyl-3,5-dimethyl-2H-furan?
5-hexyl-3,5-dimethyl-2H-furan has a molecular weight of 182.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3,5-dimethyl-2H-furan is sourced from PubChem (CID 10965170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).