4-(methoxymethyl)cyclohexane-1-carboxylate

C9H15O3- — CID 154481896

IUPAC4-(methoxymethyl)cyclohexane-1-carboxylate
SMILESCOCC1CCC(C(=O)[O-])CC1
InChIInChI=1S/C9H16O3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/p-1
InChIKeyQNJXFGTUERFVSU-UHFFFAOYSA-M
MW171.22 g/mol
LogP0.19
Rot. Bonds3

About 4-(methoxymethyl)cyclohexane-1-carboxylate

4-(methoxymethyl)cyclohexane-1-carboxylate (PubChem CID 154481896) has the molecular formula C9H15O3- and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-(methoxymethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-(methoxymethyl)cyclohexane-1-carboxylate
PubChem CID154481896
Molecular FormulaC9H15O3-
Molecular Weight171.22 g/mol
Exact Mass171.10
IUPAC Name4-(methoxymethyl)cyclohexane-1-carboxylate
SMILESCOCC1CCC(C(=O)[O-])CC1
InChIInChI=1S/C9H16O3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/p-1
InChIKeyQNJXFGTUERFVSU-UHFFFAOYSA-M
XLogP0.19
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
CID 166111938
methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
CID 70500440
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
CID 145213044
[4-(methoxymethyl)cyclohexyl]methanol
CID 19938783
azaniumylmethylazanium;cyclohexane-1,4-dicarboxylate
CID 163546448
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
CID 172731803
CID 172731803
4-pentylcyclohexane-1-carboxylate
CID 6993970
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
sodium 4-pentylcyclohexane-1-carboxylate
CID 156501187
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)cyclohexane-1-carboxylate?
The IUPAC name of 4-(methoxymethyl)cyclohexane-1-carboxylate (CID 154481896) is 4-(methoxymethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 4-(methoxymethyl)cyclohexane-1-carboxylate?
The canonical SMILES for 4-(methoxymethyl)cyclohexane-1-carboxylate is COCC1CCC(C(=O)[O-])CC1.
What is the InChIKey of 4-(methoxymethyl)cyclohexane-1-carboxylate?
The InChIKey is QNJXFGTUERFVSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16O3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/p-1.
What are the key properties of 4-(methoxymethyl)cyclohexane-1-carboxylate?
4-(methoxymethyl)cyclohexane-1-carboxylate has a molecular weight of 171.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 154481896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).