2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate

C17H32O2 — CID 89192803

IUPAC2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate
SMILESCC(C)C/C=C\CC(C)C(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C17H32O2/c1-12(2)10-8-9-11-15(7)17(18)19-16(13(3)4)14(5)6/h8-9,12-16H,10-11H2,1-7H3/b9-8-
InChIKeyVJIPKKOYXLKFTF-HJWRWDBZSA-N
MW268.44 g/mol
LogP4.84
Rot. Bonds8

About 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate

2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate (PubChem CID 89192803) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate
PubChem CID89192803
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate
SMILESCC(C)C/C=C\CC(C)C(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C17H32O2/c1-12(2)10-8-9-11-15(7)17(18)19-16(13(3)4)14(5)6/h8-9,12-16H,10-11H2,1-7H3/b9-8-
InChIKeyVJIPKKOYXLKFTF-HJWRWDBZSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.84
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

CID 9831416
CID 9831416
CID 15693827
CID 15693827
CID 164576917
CID 164576917
CID 164576919
CID 164576919
CID 164576926
CID 164576926
CID 164964
CID 164964
CID 6381521
CID 6381521
CID 44410596
CID 44410596
CID 44410658
CID 44410658
CID 85623804
CID 85623804
CID 121839
CID 121839
CID 15930975
CID 15930975

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate?
The IUPAC name of 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate (CID 89192803) is 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate?
The canonical SMILES for 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate is CC(C)C/C=C\CC(C)C(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate?
The InChIKey is VJIPKKOYXLKFTF-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H32O2/c1-12(2)10-8-9-11-15(7)17(18)19-16(13(3)4)14(5)6/h8-9,12-16H,10-11H2,1-7H3/b9-8-.
What are the key properties of 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate?
2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate has a molecular weight of 268.44 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl (Z)-2,7-dimethyloct-4-enoate is sourced from PubChem (CID 89192803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).