[(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate

C16H30O2 — CID 23024255

IUPAC[(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate
SMILESCC/C=C(/CCCCCC)OC(=O)C(C)(C)CC
InChIInChI=1S/C16H30O2/c1-6-9-10-11-13-14(12-7-2)18-15(17)16(4,5)8-3/h12H,6-11,13H2,1-5H3/b14-12-
InChIKeyYZCRYVKOHJROAE-OWBHPGMISA-N
MW254.41 g/mol
LogP5.23
Rot. Bonds9

About [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate

[(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate (PubChem CID 23024255) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate
PubChem CID23024255
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate
SMILESCC/C=C(/CCCCCC)OC(=O)C(C)(C)CC
InChIInChI=1S/C16H30O2/c1-6-9-10-11-13-14(12-7-2)18-15(17)16(4,5)8-3/h12H,6-11,13H2,1-5H3/b14-12-
InChIKeyYZCRYVKOHJROAE-OWBHPGMISA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tridecyl 2,2-dimethylbutanoate
CID 59651442
bis[(E)-tetradec-5-en-5-yl] butanedioate
CID 142743699
10-icos-9-en-10-yloxyicos-9-ene
CID 57044989
pentyl 2,2-dimethylbutanoate
CID 59940538
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
2,2-bis(hydroxymethyl)propane-1,3-diol;hexadecanoyl octadecanoate
CID 175019515
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621

Frequently Asked Questions

What is the IUPAC name of [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate?
The IUPAC name of [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate (CID 23024255) is [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate is CC/C=C(/CCCCCC)OC(=O)C(C)(C)CC.
What is the InChIKey of [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate?
The InChIKey is YZCRYVKOHJROAE-OWBHPGMISA-N. The full InChI is InChI=1S/C16H30O2/c1-6-9-10-11-13-14(12-7-2)18-15(17)16(4,5)8-3/h12H,6-11,13H2,1-5H3/b14-12-.
What are the key properties of [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate?
[(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate has a molecular weight of 254.41 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 23024255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).