(1,2,2-trimethylcyclooctyl) prop-2-enoate

C14H24O2 — CID 164546648

IUPAC(1,2,2-trimethylcyclooctyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CCCCCCC1(C)C
InChIInChI=1S/C14H24O2/c1-5-12(15)16-14(4)11-9-7-6-8-10-13(14,2)3/h5H,1,6-11H2,2-4H3
InChIKeyCCKUICXUUWPQOA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds2

About (1,2,2-trimethylcyclooctyl) prop-2-enoate

(1,2,2-trimethylcyclooctyl) prop-2-enoate (PubChem CID 164546648) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1,2,2-trimethylcyclooctyl) prop-2-enoate.

Molecular Properties

Compound Name(1,2,2-trimethylcyclooctyl) prop-2-enoate
PubChem CID164546648
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1,2,2-trimethylcyclooctyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CCCCCCC1(C)C
InChIInChI=1S/C14H24O2/c1-5-12(15)16-14(4)11-9-7-6-8-10-13(14,2)3/h5H,1,6-11H2,2-4H3
InChIKeyCCKUICXUUWPQOA-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
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

(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
CID 20502006
(1,2,2-trimethylcyclohexyl) 2-hydroxypropanoate
CID 141174790
(1-propylcyclononyl) prop-2-enoate
CID 141276110
[1-(3-ethylpentan-3-yl)cyclohexyl] prop-2-enoate
CID 66663238
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
1-bicyclo[7.2.1]dodecanyl prop-2-enoate
CID 169221867
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate
CID 22650073
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
(1,1,4-trimethylsilinan-4-yl) prop-2-enoate
CID 18381221
[2-(dihydroxymethyl)oxan-2-yl] prop-2-enoate
CID 141413960

Frequently Asked Questions

What is the IUPAC name of (1,2,2-trimethylcyclooctyl) prop-2-enoate?
The IUPAC name of (1,2,2-trimethylcyclooctyl) prop-2-enoate (CID 164546648) is (1,2,2-trimethylcyclooctyl) prop-2-enoate.
What is the SMILES notation for (1,2,2-trimethylcyclooctyl) prop-2-enoate?
The canonical SMILES for (1,2,2-trimethylcyclooctyl) prop-2-enoate is C=CC(=O)OC1(C)CCCCCCC1(C)C.
What is the InChIKey of (1,2,2-trimethylcyclooctyl) prop-2-enoate?
The InChIKey is CCKUICXUUWPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-12(15)16-14(4)11-9-7-6-8-10-13(14,2)3/h5H,1,6-11H2,2-4H3.
What are the key properties of (1,2,2-trimethylcyclooctyl) prop-2-enoate?
(1,2,2-trimethylcyclooctyl) prop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-trimethylcyclooctyl) prop-2-enoate is sourced from PubChem (CID 164546648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).