methyl 2-ethyl-3-methylnonadec-2-enoate

C23H44O2 — CID 175468450

IUPACmethyl 2-ethyl-3-methylnonadec-2-enoate
SMILESCCCCCCCCCCCCCCCCC(C)=C(CC)C(=O)OC
InChIInChI=1S/C23H44O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)22(6-2)23(24)25-4/h5-20H2,1-4H3
InChIKeyDGOUUXVRYGYXSM-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.76
Rot. Bonds17

About methyl 2-ethyl-3-methylnonadec-2-enoate

methyl 2-ethyl-3-methylnonadec-2-enoate (PubChem CID 175468450) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is methyl 2-ethyl-3-methylnonadec-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-methylnonadec-2-enoate
PubChem CID175468450
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Namemethyl 2-ethyl-3-methylnonadec-2-enoate
SMILESCCCCCCCCCCCCCCCCC(C)=C(CC)C(=O)OC
InChIInChI=1S/C23H44O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)22(6-2)23(24)25-4/h5-20H2,1-4H3
InChIKeyDGOUUXVRYGYXSM-UHFFFAOYSA-N
XLogP7.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.76
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

dimethyl 2-ethyl-3-heptylbut-2-enedioate
CID 123502335
dimethyl 2-decyl-3-ethylbut-2-enedioate
CID 123185855
methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
methyl 2-ethyl-3-fluoronon-2-enoate
CID 174824255
azane;methyl 2,3-dimethylhenicos-2-enoate
CID 174823246
dimethyl (Z)-2-dodecyl-3-methylbut-2-enedioate
CID 10853599
methyl (Z)-2-chloro-3-methylundec-2-enoate
CID 87935444
dimethyl (Z)-2-pentyl-3-propylbut-2-enedioate
CID 88550023
pentyl 2-ethyl-3-methylhex-2-enoate
CID 175495326
dimethyl 2-decyl-3-propan-2-ylbut-2-enedioate
CID 123455799
2-butan-2-ylideneoctanoic acid
CID 173391437
methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-methylnonadec-2-enoate?
The IUPAC name of methyl 2-ethyl-3-methylnonadec-2-enoate (CID 175468450) is methyl 2-ethyl-3-methylnonadec-2-enoate.
What is the SMILES notation for methyl 2-ethyl-3-methylnonadec-2-enoate?
The canonical SMILES for methyl 2-ethyl-3-methylnonadec-2-enoate is CCCCCCCCCCCCCCCCC(C)=C(CC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-3-methylnonadec-2-enoate?
The InChIKey is DGOUUXVRYGYXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)22(6-2)23(24)25-4/h5-20H2,1-4H3.
What are the key properties of methyl 2-ethyl-3-methylnonadec-2-enoate?
methyl 2-ethyl-3-methylnonadec-2-enoate has a molecular weight of 352.60 g/mol, XLogP of 7.76, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-methylnonadec-2-enoate is sourced from PubChem (CID 175468450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).