methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate

C18H28O3 — CID 135067761

IUPACmethyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(CCCC)CC(=C)C1CC(C(=O)OC)=C(C(C)C)O1
InChIInChI=1S/C18H28O3/c1-7-8-9-13(4)10-14(5)16-11-15(18(19)20-6)17(21-16)12(2)3/h12,16H,4-5,7-11H2,1-3,6H3
InChIKeyHFDNBQQJNDQCDU-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.55
Rot. Bonds8

About methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate

methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 135067761) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID135067761
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Namemethyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(CCCC)CC(=C)C1CC(C(=O)OC)=C(C(C)C)O1
InChIInChI=1S/C18H28O3/c1-7-8-9-13(4)10-14(5)16-11-15(18(19)20-6)17(21-16)12(2)3/h12,16H,4-5,7-11H2,1-3,6H3
InChIKeyHFDNBQQJNDQCDU-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Squamostanal A
CID 85308895
(2S)-4-dodec-11-enyl-2-methyl-2H-furan-5-one
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(2R)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 10687323
Orlistat hexyl undecyl pyranone
CID 14607526
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
CID 70698063
rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide
CID 70698064
(5S)-2,5-Dihydro-5-methyl-2-oxo-3-furantridecanal
CID 10902491
7,11-Dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one
CID 76416383
8-Methoxy-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one
CID 77916070
(13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one
CID 162847981

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate (CID 135067761) is methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(CCCC)CC(=C)C1CC(C(=O)OC)=C(C(C)C)O1.
What is the InChIKey of methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is HFDNBQQJNDQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-7-8-9-13(4)10-14(5)16-11-15(18(19)20-6)17(21-16)12(2)3/h12,16H,4-5,7-11H2,1-3,6H3.
What are the key properties of methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate?
methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 292.42 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 135067761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).