methyl 1-prop-2-enoxycyclohexane-1-carboxylate

C11H18O3 — CID 130466447

IUPACmethyl 1-prop-2-enoxycyclohexane-1-carboxylate
SMILESC=CCOC1(C(=O)OC)CCCCC1
InChIInChI=1S/C11H18O3/c1-3-9-14-11(10(12)13-2)7-5-4-6-8-11/h3H,1,4-9H2,2H3
InChIKeyOWGVRVOVVQPRQA-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds4

About methyl 1-prop-2-enoxycyclohexane-1-carboxylate

methyl 1-prop-2-enoxycyclohexane-1-carboxylate (PubChem CID 130466447) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 1-prop-2-enoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-prop-2-enoxycyclohexane-1-carboxylate
PubChem CID130466447
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 1-prop-2-enoxycyclohexane-1-carboxylate
SMILESC=CCOC1(C(=O)OC)CCCCC1
InChIInChI=1S/C11H18O3/c1-3-9-14-11(10(12)13-2)7-5-4-6-8-11/h3H,1,4-9H2,2H3
InChIKeyOWGVRVOVVQPRQA-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-prop-2-enoxycyclohexane-1-carboxylate?
The IUPAC name of methyl 1-prop-2-enoxycyclohexane-1-carboxylate (CID 130466447) is methyl 1-prop-2-enoxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-prop-2-enoxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-prop-2-enoxycyclohexane-1-carboxylate is C=CCOC1(C(=O)OC)CCCCC1.
What is the InChIKey of methyl 1-prop-2-enoxycyclohexane-1-carboxylate?
The InChIKey is OWGVRVOVVQPRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-9-14-11(10(12)13-2)7-5-4-6-8-11/h3H,1,4-9H2,2H3.
What are the key properties of methyl 1-prop-2-enoxycyclohexane-1-carboxylate?
methyl 1-prop-2-enoxycyclohexane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-prop-2-enoxycyclohexane-1-carboxylate is sourced from PubChem (CID 130466447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).