8,8-dimethyldecyl 2-methylprop-2-enoate

C16H30O2 — CID 58241592

IUPAC8,8-dimethyldecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCC(C)(C)CC
InChIInChI=1S/C16H30O2/c1-6-16(4,5)12-10-8-7-9-11-13-18-15(17)14(2)3/h2,6-13H2,1,3-5H3
InChIKeyDEUJQUAOJJMMJM-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.88
Rot. Bonds10

About 8,8-dimethyldecyl 2-methylprop-2-enoate

8,8-dimethyldecyl 2-methylprop-2-enoate (PubChem CID 58241592) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 8,8-dimethyldecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8,8-dimethyldecyl 2-methylprop-2-enoate
PubChem CID58241592
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name8,8-dimethyldecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCC(C)(C)CC
InChIInChI=1S/C16H30O2/c1-6-16(4,5)12-10-8-7-9-11-13-18-15(17)14(2)3/h2,6-13H2,1,3-5H3
InChIKeyDEUJQUAOJJMMJM-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.88
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

3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
23,23-dimethyltetracosyl 2-methylprop-2-enoate
CID 178182049
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
14-[(2-methylpropan-2-yl)oxy]tetradecyl 2-methylprop-2-enoate
CID 166506035
5-[(2-methylpropan-2-yl)oxy]pentyl 2-methylprop-2-enoate
CID 167430528
6,6-dimethyloctyl 2-(2-methylprop-2-enoylamino)acetate;molecular hydrogen
CID 145404622
methane;tridecyl 2-methylprop-2-enoate
CID 174863529

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyldecyl 2-methylprop-2-enoate?
The IUPAC name of 8,8-dimethyldecyl 2-methylprop-2-enoate (CID 58241592) is 8,8-dimethyldecyl 2-methylprop-2-enoate.
What is the SMILES notation for 8,8-dimethyldecyl 2-methylprop-2-enoate?
The canonical SMILES for 8,8-dimethyldecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCC(C)(C)CC.
What is the InChIKey of 8,8-dimethyldecyl 2-methylprop-2-enoate?
The InChIKey is DEUJQUAOJJMMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-16(4,5)12-10-8-7-9-11-13-18-15(17)14(2)3/h2,6-13H2,1,3-5H3.
What are the key properties of 8,8-dimethyldecyl 2-methylprop-2-enoate?
8,8-dimethyldecyl 2-methylprop-2-enoate has a molecular weight of 254.41 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyldecyl 2-methylprop-2-enoate is sourced from PubChem (CID 58241592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).