3,3-dimethylpentyl 2-methylprop-2-enoate

C11H20O2 — CID 20670454

IUPAC3,3-dimethylpentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)(C)CC
InChIInChI=1S/C11H20O2/c1-6-11(4,5)7-8-13-10(12)9(2)3/h2,6-8H2,1,3-5H3
InChIKeyDKVVHFMAWQMQNI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds5

About 3,3-dimethylpentyl 2-methylprop-2-enoate

3,3-dimethylpentyl 2-methylprop-2-enoate (PubChem CID 20670454) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3,3-dimethylpentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3,3-dimethylpentyl 2-methylprop-2-enoate
PubChem CID20670454
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3,3-dimethylpentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)(C)CC
InChIInChI=1S/C11H20O2/c1-6-11(4,5)7-8-13-10(12)9(2)3/h2,6-8H2,1,3-5H3
InChIKeyDKVVHFMAWQMQNI-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
8,8-dimethyldecyl 2-methylprop-2-enoate
CID 58241592
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361
(5,5-dimethyl-2-oxoheptyl) 2-methylprop-2-enoate
CID 87641053
bis(trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium) dichloride
CID 174680654
[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276
[3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate
CID 89088759
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
23,23-dimethyltetracosyl 2-methylprop-2-enoate
CID 178182049
3-(2-methylprop-2-enoyloxy)propyl 2,2-difluorobutanoate
CID 88573524

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentyl 2-methylprop-2-enoate?
The IUPAC name of 3,3-dimethylpentyl 2-methylprop-2-enoate (CID 20670454) is 3,3-dimethylpentyl 2-methylprop-2-enoate.
What is the SMILES notation for 3,3-dimethylpentyl 2-methylprop-2-enoate?
The canonical SMILES for 3,3-dimethylpentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)(C)CC.
What is the InChIKey of 3,3-dimethylpentyl 2-methylprop-2-enoate?
The InChIKey is DKVVHFMAWQMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-11(4,5)7-8-13-10(12)9(2)3/h2,6-8H2,1,3-5H3.
What are the key properties of 3,3-dimethylpentyl 2-methylprop-2-enoate?
3,3-dimethylpentyl 2-methylprop-2-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentyl 2-methylprop-2-enoate is sourced from PubChem (CID 20670454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).