4,8-dimethylnona-3,7-dien-2-yl butanoate

C15H26O2 — CID 71367305

IUPAC4,8-dimethylnona-3,7-dien-2-yl butanoate
SMILESCCCC(=O)OC(C)C=C(C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-6-8-15(16)17-14(5)11-13(4)10-7-9-12(2)3/h9,11,14H,6-8,10H2,1-5H3
InChIKeyXMLKVYLREBKMFS-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds7

About 4,8-dimethylnona-3,7-dien-2-yl butanoate

4,8-dimethylnona-3,7-dien-2-yl butanoate (PubChem CID 71367305) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4,8-dimethylnona-3,7-dien-2-yl butanoate.

Molecular Properties

Compound Name4,8-dimethylnona-3,7-dien-2-yl butanoate
PubChem CID71367305
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4,8-dimethylnona-3,7-dien-2-yl butanoate
SMILESCCCC(=O)OC(C)C=C(C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-6-8-15(16)17-14(5)11-13(4)10-7-9-12(2)3/h9,11,14H,6-8,10H2,1-5H3
InChIKeyXMLKVYLREBKMFS-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate
CID 91575554
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] butanoate
CID 147657176
4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid
CID 174852652
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] tridecanoate
CID 174419764
(2E)-3,7-dimethylocta-2,6-dien-1-ol;propan-2-yl tetradecanoate
CID 46913634
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
[(2R)-1-oxopropan-2-yl] butanoate
CID 124506646
bis[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] pentanedioate
CID 87993813
(3,7-dimethyl-1-sulfanylocta-2,6-dienyl) acetate
CID 57137605
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate
CID 6391709
[2-(2-acetyloxypropylidene)-6-methylhept-5-enyl] acetate
CID 54053147
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylnona-3,7-dien-2-yl butanoate?
The IUPAC name of 4,8-dimethylnona-3,7-dien-2-yl butanoate (CID 71367305) is 4,8-dimethylnona-3,7-dien-2-yl butanoate.
What is the SMILES notation for 4,8-dimethylnona-3,7-dien-2-yl butanoate?
The canonical SMILES for 4,8-dimethylnona-3,7-dien-2-yl butanoate is CCCC(=O)OC(C)C=C(C)CCC=C(C)C.
What is the InChIKey of 4,8-dimethylnona-3,7-dien-2-yl butanoate?
The InChIKey is XMLKVYLREBKMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-8-15(16)17-14(5)11-13(4)10-7-9-12(2)3/h9,11,14H,6-8,10H2,1-5H3.
What are the key properties of 4,8-dimethylnona-3,7-dien-2-yl butanoate?
4,8-dimethylnona-3,7-dien-2-yl butanoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylnona-3,7-dien-2-yl butanoate is sourced from PubChem (CID 71367305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).