methyl 2,3-dimethyltetradec-2-enoate

C17H32O2 — CID 175495328

IUPACmethyl 2,3-dimethyltetradec-2-enoate
SMILESCCCCCCCCCCCC(C)=C(C)C(=O)OC
InChIInChI=1S/C17H32O2/c1-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17(18)19-4/h5-14H2,1-4H3
InChIKeyUPKZQEGWQSQSHW-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds11

About methyl 2,3-dimethyltetradec-2-enoate

methyl 2,3-dimethyltetradec-2-enoate (PubChem CID 175495328) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is methyl 2,3-dimethyltetradec-2-enoate.

Molecular Properties

Compound Namemethyl 2,3-dimethyltetradec-2-enoate
PubChem CID175495328
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Namemethyl 2,3-dimethyltetradec-2-enoate
SMILESCCCCCCCCCCCC(C)=C(C)C(=O)OC
InChIInChI=1S/C17H32O2/c1-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17(18)19-4/h5-14H2,1-4H3
InChIKeyUPKZQEGWQSQSHW-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.42
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

azane;methyl 2,3-dimethylhenicos-2-enoate
CID 174823246
methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
dimethyl (Z)-2-dodecyl-3-methylbut-2-enedioate
CID 10853599
methyl 2-ethyl-3-methylnonadec-2-enoate
CID 175468450
methyl (Z)-2-chloro-3-methylundec-2-enoate
CID 87935444
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
CID 76806265
methyl 2-methyl-3-propylhex-2-enoate
CID 15856734
methyl 2,3-dioxotetracosanoate
CID 174604559
dimethyl (Z)-2-butyl-3-methylbut-2-enedioate
CID 88510267
8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
CID 76806274

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyltetradec-2-enoate?
The IUPAC name of methyl 2,3-dimethyltetradec-2-enoate (CID 175495328) is methyl 2,3-dimethyltetradec-2-enoate.
What is the SMILES notation for methyl 2,3-dimethyltetradec-2-enoate?
The canonical SMILES for methyl 2,3-dimethyltetradec-2-enoate is CCCCCCCCCCCC(C)=C(C)C(=O)OC.
What is the InChIKey of methyl 2,3-dimethyltetradec-2-enoate?
The InChIKey is UPKZQEGWQSQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17(18)19-4/h5-14H2,1-4H3.
What are the key properties of methyl 2,3-dimethyltetradec-2-enoate?
methyl 2,3-dimethyltetradec-2-enoate has a molecular weight of 268.44 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyltetradec-2-enoate is sourced from PubChem (CID 175495328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).