(2-methoxy-1-methylcyclohexyl) prop-2-enoate

C11H18O3 — CID 58844095

IUPAC(2-methoxy-1-methylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CCCCC1OC
InChIInChI=1S/C11H18O3/c1-4-10(12)14-11(2)8-6-5-7-9(11)13-3/h4,9H,1,5-8H2,2-3H3
InChIKeyLOOCEPYTQYASOU-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds3

About (2-methoxy-1-methylcyclohexyl) prop-2-enoate

(2-methoxy-1-methylcyclohexyl) prop-2-enoate (PubChem CID 58844095) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2-methoxy-1-methylcyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(2-methoxy-1-methylcyclohexyl) prop-2-enoate
PubChem CID58844095
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2-methoxy-1-methylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CCCCC1OC
InChIInChI=1S/C11H18O3/c1-4-10(12)14-11(2)8-6-5-7-9(11)13-3/h4,9H,1,5-8H2,2-3H3
InChIKeyLOOCEPYTQYASOU-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl ester
CID 17972365
4-Butylcyclohexyl acrylate
CID 18469648
1-Methylcyclohexyl prop-2-enoate
CID 13086546
(1s,2s)-1-Methyl-1,2-bis(prop-2-en-1-yloxy)-cyclohexane
CID 134158789
[2-[1-[(1R)-3,3-dimethylcyclohexyl]ethoxy]-2-methylpropyl] prop-2-enoate
CID 170851904
4-Methylcyclohexyl prop-2-enoate
CID 251820
1-Cyclohexylethyl prop-2-enoate
CID 17819485
(1-Hydroxycyclohexyl)methyl prop-2-enoate
CID 19357468
(2-Methylcyclohexyl) prop-2-enoate
CID 21960801
(2-Ethyl-3-propyloxiran-2-yl)methyl prop-2-enoate
CID 54027187
(2-Methyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
CID 54291413
(2-Ethylcyclohexyl) prop-2-enoate
CID 54570499

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1-methylcyclohexyl) prop-2-enoate?
The IUPAC name of (2-methoxy-1-methylcyclohexyl) prop-2-enoate (CID 58844095) is (2-methoxy-1-methylcyclohexyl) prop-2-enoate.
What is the SMILES notation for (2-methoxy-1-methylcyclohexyl) prop-2-enoate?
The canonical SMILES for (2-methoxy-1-methylcyclohexyl) prop-2-enoate is C=CC(=O)OC1(C)CCCCC1OC.
What is the InChIKey of (2-methoxy-1-methylcyclohexyl) prop-2-enoate?
The InChIKey is LOOCEPYTQYASOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-10(12)14-11(2)8-6-5-7-9(11)13-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of (2-methoxy-1-methylcyclohexyl) prop-2-enoate?
(2-methoxy-1-methylcyclohexyl) prop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1-methylcyclohexyl) prop-2-enoate is sourced from PubChem (CID 58844095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).