4-methyl-2-nonyl-2,5-dihydrofuran

C14H26O — CID 15685962

IUPAC4-methyl-2-nonyl-2,5-dihydrofuran
SMILESCCCCCCCCCC1C=C(C)CO1
InChIInChI=1S/C14H26O/c1-3-4-5-6-7-8-9-10-14-11-13(2)12-15-14/h11,14H,3-10,12H2,1-2H3
InChIKeyDIRVURIJKRKIJY-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.47
Rot. Bonds8

About 4-methyl-2-nonyl-2,5-dihydrofuran

4-methyl-2-nonyl-2,5-dihydrofuran (PubChem CID 15685962) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-methyl-2-nonyl-2,5-dihydrofuran.

Molecular Properties

Compound Name4-methyl-2-nonyl-2,5-dihydrofuran
PubChem CID15685962
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-methyl-2-nonyl-2,5-dihydrofuran
SMILESCCCCCCCCCC1C=C(C)CO1
InChIInChI=1S/C14H26O/c1-3-4-5-6-7-8-9-10-14-11-13(2)12-15-14/h11,14H,3-10,12H2,1-2H3
InChIKeyDIRVURIJKRKIJY-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.47
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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CID 92002
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
(2R)-3-methyl-2-(3-methylbut-3-enyl)-2,5-dihydrofuran
CID 163015296
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
2-Butyl-4-methyl-3,6-dihydro-2h-pyran
CID 12503535
2-(2-Methylprop-1-enyl)tetrahydrofuran
CID 12735917

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-nonyl-2,5-dihydrofuran?
The IUPAC name of 4-methyl-2-nonyl-2,5-dihydrofuran (CID 15685962) is 4-methyl-2-nonyl-2,5-dihydrofuran.
What is the SMILES notation for 4-methyl-2-nonyl-2,5-dihydrofuran?
The canonical SMILES for 4-methyl-2-nonyl-2,5-dihydrofuran is CCCCCCCCCC1C=C(C)CO1.
What is the InChIKey of 4-methyl-2-nonyl-2,5-dihydrofuran?
The InChIKey is DIRVURIJKRKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-5-6-7-8-9-10-14-11-13(2)12-15-14/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 4-methyl-2-nonyl-2,5-dihydrofuran?
4-methyl-2-nonyl-2,5-dihydrofuran has a molecular weight of 210.36 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nonyl-2,5-dihydrofuran is sourced from PubChem (CID 15685962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).