[4-(ethenoxymethyl)cyclohexyl]methyl formate

C11H18O3 — CID 139924900

IUPAC[4-(ethenoxymethyl)cyclohexyl]methyl formate
SMILESC=COCC1CCC(COC=O)CC1
InChIInChI=1S/C11H18O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2,9-11H,1,3-8H2
InChIKeyBABADZAKUJWWRH-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.13
Rot. Bonds6

About [4-(ethenoxymethyl)cyclohexyl]methyl formate

[4-(ethenoxymethyl)cyclohexyl]methyl formate (PubChem CID 139924900) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [4-(ethenoxymethyl)cyclohexyl]methyl formate.

Molecular Properties

Compound Name[4-(ethenoxymethyl)cyclohexyl]methyl formate
PubChem CID139924900
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[4-(ethenoxymethyl)cyclohexyl]methyl formate
SMILESC=COCC1CCC(COC=O)CC1
InChIInChI=1S/C11H18O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2,9-11H,1,3-8H2
InChIKeyBABADZAKUJWWRH-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
CID 89350942
4-(ethenoxymethyl)thiane 1-oxide
CID 176602942
4-(ethenoxymethyl)thiane
CID 176603153
[4-(ethenoxymethyl)cyclohexyl]methyl propanoate
CID 139924824
piperidin-4-ylmethyl formate;hydrochloride
CID 174937459
2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
CID 123807812
4-[4-(ethenoxymethyl)cyclohexyl]-2-methylbut-2-enoic acid
CID 67281746
cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
CID 174908022
1,4-bis(2-ethenoxyethoxymethyl)cyclohexane
CID 71370153
1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene
CID 174875456
4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile
CID 18651101

Frequently Asked Questions

What is the IUPAC name of [4-(ethenoxymethyl)cyclohexyl]methyl formate?
The IUPAC name of [4-(ethenoxymethyl)cyclohexyl]methyl formate (CID 139924900) is [4-(ethenoxymethyl)cyclohexyl]methyl formate.
What is the SMILES notation for [4-(ethenoxymethyl)cyclohexyl]methyl formate?
The canonical SMILES for [4-(ethenoxymethyl)cyclohexyl]methyl formate is C=COCC1CCC(COC=O)CC1.
What is the InChIKey of [4-(ethenoxymethyl)cyclohexyl]methyl formate?
The InChIKey is BABADZAKUJWWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2,9-11H,1,3-8H2.
What are the key properties of [4-(ethenoxymethyl)cyclohexyl]methyl formate?
[4-(ethenoxymethyl)cyclohexyl]methyl formate has a molecular weight of 198.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethenoxymethyl)cyclohexyl]methyl formate is sourced from PubChem (CID 139924900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).