2,3,3-trimethylpentan-2-yl prop-2-enoate

C11H20O2 — CID 129167601

IUPAC2,3,3-trimethylpentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C(C)(C)CC
InChIInChI=1S/C11H20O2/c1-7-9(12)13-11(5,6)10(3,4)8-2/h7H,1,8H2,2-6H3
InChIKeyVJKYMSBWTMBMEN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds4

About 2,3,3-trimethylpentan-2-yl prop-2-enoate

2,3,3-trimethylpentan-2-yl prop-2-enoate (PubChem CID 129167601) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,3,3-trimethylpentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2,3,3-trimethylpentan-2-yl prop-2-enoate
PubChem CID129167601
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,3,3-trimethylpentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C(C)(C)CC
InChIInChI=1S/C11H20O2/c1-7-9(12)13-11(5,6)10(3,4)8-2/h7H,1,8H2,2-6H3
InChIKeyVJKYMSBWTMBMEN-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze 2,3,3-trimethylpentan-2-yl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-3-hydroxy-2-methylpentan-2-yl) prop-2-enoate
CID 87534109
(4-amino-2,3,3-trimethylbutan-2-yl) prop-2-enoate
CID 88722252
2-ethyl-2-prop-2-enoyloxypropanedioic acid
CID 174894826
3-ethylpent-1-en-3-yl prop-2-enoate
CID 135009193
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
3-methylhexan-3-yl prop-2-enoate
CID 87498844
(1-chloro-2-methylbutan-2-yl) prop-2-enoate
CID 20643700
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methanol
CID 174833528
(3-ethyl-4,4-dimethyldecan-3-yl) prop-2-enoate
CID 164546468
azane;1,1-diaminoethyl prop-2-enoate;hydrochloride
CID 175516983

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylpentan-2-yl prop-2-enoate?
The IUPAC name of 2,3,3-trimethylpentan-2-yl prop-2-enoate (CID 129167601) is 2,3,3-trimethylpentan-2-yl prop-2-enoate.
What is the SMILES notation for 2,3,3-trimethylpentan-2-yl prop-2-enoate?
The canonical SMILES for 2,3,3-trimethylpentan-2-yl prop-2-enoate is C=CC(=O)OC(C)(C)C(C)(C)CC.
What is the InChIKey of 2,3,3-trimethylpentan-2-yl prop-2-enoate?
The InChIKey is VJKYMSBWTMBMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7-9(12)13-11(5,6)10(3,4)8-2/h7H,1,8H2,2-6H3.
What are the key properties of 2,3,3-trimethylpentan-2-yl prop-2-enoate?
2,3,3-trimethylpentan-2-yl prop-2-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylpentan-2-yl prop-2-enoate is sourced from PubChem (CID 129167601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).