dodecyl 2,3-dimethylpent-2-enoate

C19H36O2 — CID 175923005

IUPACdodecyl 2,3-dimethylpent-2-enoate
SMILESCCCCCCCCCCCCOC(=O)C(C)=C(C)CC
InChIInChI=1S/C19H36O2/c1-5-7-8-9-10-11-12-13-14-15-16-21-19(20)18(4)17(3)6-2/h5-16H2,1-4H3
InChIKeyKJGZNINZXKBTAS-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.20
Rot. Bonds13

About dodecyl 2,3-dimethylpent-2-enoate

dodecyl 2,3-dimethylpent-2-enoate (PubChem CID 175923005) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is dodecyl 2,3-dimethylpent-2-enoate.

Molecular Properties

Compound Namedodecyl 2,3-dimethylpent-2-enoate
PubChem CID175923005
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Namedodecyl 2,3-dimethylpent-2-enoate
SMILESCCCCCCCCCCCCOC(=O)C(C)=C(C)CC
InChIInChI=1S/C19H36O2/c1-5-7-8-9-10-11-12-13-14-15-16-21-19(20)18(4)17(3)6-2/h5-16H2,1-4H3
InChIKeyKJGZNINZXKBTAS-UHFFFAOYSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
hexyl 2,3-dimethylhex-2-enoate
CID 175495460
dipentyl (Z)-2,3-dimethylbut-2-enedioate
CID 175563283
decyl 2,3-dimethylbut-2-enoate
CID 146279966
ditridecyl oxalate
CID 18377796
undecyl 3,3-difluoro-2-methylprop-2-enoate
CID 175057000
octyl 2-methyl-3-propylhex-2-enoate
CID 175495507
octyl 3-ethyl-2-methylhex-2-enoate
CID 175495245
dibutyl (Z)-2,3-dimethylbut-2-enedioate
CID 87788407
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
dioctyl 2-methyl-3-octylbut-2-enedioate
CID 173381297
CID 162323537
CID 162323537

Frequently Asked Questions

What is the IUPAC name of dodecyl 2,3-dimethylpent-2-enoate?
The IUPAC name of dodecyl 2,3-dimethylpent-2-enoate (CID 175923005) is dodecyl 2,3-dimethylpent-2-enoate.
What is the SMILES notation for dodecyl 2,3-dimethylpent-2-enoate?
The canonical SMILES for dodecyl 2,3-dimethylpent-2-enoate is CCCCCCCCCCCCOC(=O)C(C)=C(C)CC.
What is the InChIKey of dodecyl 2,3-dimethylpent-2-enoate?
The InChIKey is KJGZNINZXKBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-5-7-8-9-10-11-12-13-14-15-16-21-19(20)18(4)17(3)6-2/h5-16H2,1-4H3.
What are the key properties of dodecyl 2,3-dimethylpent-2-enoate?
dodecyl 2,3-dimethylpent-2-enoate has a molecular weight of 296.50 g/mol, XLogP of 6.20, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2,3-dimethylpent-2-enoate is sourced from PubChem (CID 175923005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).