ethyl 1-methylcyclohexane-1-carboxylate

C10H18O2 — CID 14460242

IUPACethyl 1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C)CCCCC1
InChIInChI=1S/C10H18O2/c1-3-12-9(11)10(2)7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyHXFNWTAAWUHDSZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds2

About ethyl 1-methylcyclohexane-1-carboxylate

ethyl 1-methylcyclohexane-1-carboxylate (PubChem CID 14460242) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl 1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-methylcyclohexane-1-carboxylate
PubChem CID14460242
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl 1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C)CCCCC1
InChIInChI=1S/C10H18O2/c1-3-12-9(11)10(2)7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyHXFNWTAAWUHDSZ-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclohexanoate
CID 18686
Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
Ethyl 2-cyclohexylpropionate
CID 160641
Isodecyl isononanoate
CID 91667972
Diethyl 1,4-cyclohexanedicarboxylate
CID 254555
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
CID 11735763
Methyl 3-methylcyclohexanecarboxylate
CID 21259590
2H-Pyran-2-one, tetrahydro-5-pentyl-
CID 59609863
12-Methyl-13-tridecanolide
CID 534607
2-Oxaspiro(4.5)decan-3-one
CID 23661
Oryctalure
CID 92058

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-methylcyclohexane-1-carboxylate (CID 14460242) is ethyl 1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-methylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-methylcyclohexane-1-carboxylate is CCOC(=O)C1(C)CCCCC1.
What is the InChIKey of ethyl 1-methylcyclohexane-1-carboxylate?
The InChIKey is HXFNWTAAWUHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-12-9(11)10(2)7-5-4-6-8-10/h3-8H2,1-2H3.
What are the key properties of ethyl 1-methylcyclohexane-1-carboxylate?
ethyl 1-methylcyclohexane-1-carboxylate has a molecular weight of 170.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 14460242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).