[6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate

C17H26O2 — CID 74401869

IUPAC[6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
SMILESC=CC(=C)CCC=C(CCC=C(C)C)COC(C)=O
InChIInChI=1S/C17H26O2/c1-6-15(4)10-8-12-17(13-19-16(5)18)11-7-9-14(2)3/h6,9,12H,1,4,7-8,10-11,13H2,2-3,5H3
InChIKeyGEYNKZNUVHPUPN-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.74
Rot. Bonds9

About [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate

[6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate (PubChem CID 74401869) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate.

Molecular Properties

Compound Name[6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
PubChem CID74401869
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
SMILESC=CC(=C)CCC=C(CCC=C(C)C)COC(C)=O
InChIInChI=1S/C17H26O2/c1-6-15(4)10-8-12-17(13-19-16(5)18)11-7-9-14(2)3/h6,9,12H,1,4,7-8,10-11,13H2,2-3,5H3
InChIKeyGEYNKZNUVHPUPN-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Geranyl Acetate
CID 1549026
Gefarnate
CID 5282182
Neryl acetate
CID 1549025
Geranyl butyrate
CID 5355856
Neryl butyrate
CID 5352162
Neryl propionate
CID 5365982
Neryl isobutyrate
CID 5365991
Geranyl propionate
CID 5355853
2-Heptenyl acetate, (2E)-
CID 5363203
Farnesyl acetate
CID 94403
Geranyl valerate
CID 5365850
2-Octen-1-yl acetate, (2E)-
CID 5463875

Frequently Asked Questions

What is the IUPAC name of [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate?
The IUPAC name of [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate (CID 74401869) is [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate.
What is the SMILES notation for [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate?
The canonical SMILES for [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate is C=CC(=C)CCC=C(CCC=C(C)C)COC(C)=O.
What is the InChIKey of [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate?
The InChIKey is GEYNKZNUVHPUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-15(4)10-8-12-17(13-19-16(5)18)11-7-9-14(2)3/h6,9,12H,1,4,7-8,10-11,13H2,2-3,5H3.
What are the key properties of [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate?
[6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate has a molecular weight of 262.39 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate is sourced from PubChem (CID 74401869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).