methyl 3,3-dimethyl-2-methylidenenonadecanoate

C23H44O2 — CID 175497695

IUPACmethyl 3,3-dimethyl-2-methylidenenonadecanoate
SMILESC=C(C(=O)OC)C(C)(C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H44O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,4)21(2)22(24)25-5/h2,6-20H2,1,3-5H3
InChIKeyDYYJZDAHIMOXLG-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.61
Rot. Bonds17

About methyl 3,3-dimethyl-2-methylidenenonadecanoate

methyl 3,3-dimethyl-2-methylidenenonadecanoate (PubChem CID 175497695) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is methyl 3,3-dimethyl-2-methylidenenonadecanoate.

Molecular Properties

Compound Namemethyl 3,3-dimethyl-2-methylidenenonadecanoate
PubChem CID175497695
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Namemethyl 3,3-dimethyl-2-methylidenenonadecanoate
SMILESC=C(C(=O)OC)C(C)(C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H44O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,4)21(2)22(24)25-5/h2,6-20H2,1,3-5H3
InChIKeyDYYJZDAHIMOXLG-UHFFFAOYSA-N
XLogP7.61
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 ≤ 57.61
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

azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
N,2,2-trimethyloctadecanamide
CID 158817445
methyl 3-hydroxy-2-methylidene-3-propylhexanoate
CID 14006518
methyl 3,3-dimethyl-2-methylidenebutanoate;pentyl 2-methylprop-2-enoate
CID 174795864
2,2-dimethyloctanethioate
CID 18983936
2,2-dimethyldodecanoyl chloride
CID 15656432
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethyl-2-methylidenenonadecanoate?
The IUPAC name of methyl 3,3-dimethyl-2-methylidenenonadecanoate (CID 175497695) is methyl 3,3-dimethyl-2-methylidenenonadecanoate.
What is the SMILES notation for methyl 3,3-dimethyl-2-methylidenenonadecanoate?
The canonical SMILES for methyl 3,3-dimethyl-2-methylidenenonadecanoate is C=C(C(=O)OC)C(C)(C)CCCCCCCCCCCCCCCC.
What is the InChIKey of methyl 3,3-dimethyl-2-methylidenenonadecanoate?
The InChIKey is DYYJZDAHIMOXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,4)21(2)22(24)25-5/h2,6-20H2,1,3-5H3.
What are the key properties of methyl 3,3-dimethyl-2-methylidenenonadecanoate?
methyl 3,3-dimethyl-2-methylidenenonadecanoate has a molecular weight of 352.60 g/mol, XLogP of 7.61, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethyl-2-methylidenenonadecanoate is sourced from PubChem (CID 175497695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).