methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate

C16H28O3 — CID 70500440

IUPACmethyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
SMILESCOCC1CCC(C2CCC(C(=O)OC)CC2)CC1
InChIInChI=1S/C16H28O3/c1-18-11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)16(17)19-2/h12-15H,3-11H2,1-2H3
InChIKeyYQNZEDONYANIGV-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.42
Rot. Bonds4

About methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate

methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate (PubChem CID 70500440) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
PubChem CID70500440
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Namemethyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
SMILESCOCC1CCC(C2CCC(C(=O)OC)CC2)CC1
InChIInChI=1S/C16H28O3/c1-18-11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)16(17)19-2/h12-15H,3-11H2,1-2H3
InChIKeyYQNZEDONYANIGV-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-(3-hydroxypropyl)cyclohexyl]cyclohexane-1-carboxylate
CID 18979612
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
[4-[4-(4-methylcyclohexanecarbonyl)oxycyclohexyl]cyclohexyl] 4-(methoxymethyl)cycloheptane-1-carboxylate
CID 144611952
4-(methoxymethyl)cyclohexane-1-carboxylate
CID 154481896
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
CID 19688454
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
CID 166111938
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
methyl 4-(nitrosomethyl)cyclohexane-1-carboxylate
CID 123916725
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate (CID 70500440) is methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate is COCC1CCC(C2CCC(C(=O)OC)CC2)CC1.
What is the InChIKey of methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate?
The InChIKey is YQNZEDONYANIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-18-11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)16(17)19-2/h12-15H,3-11H2,1-2H3.
What are the key properties of methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate?
methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 70500440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).