Ethyl 2-methylcyclohexanecarboxylate

C10H18O2 — CID 10773477

IUPACethyl 2-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1C
InChIInChI=1S/C10H18O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyHBJZBPQYTLKQBY-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.00
Rot. Bonds3

About Ethyl 2-methylcyclohexanecarboxylate

Ethyl 2-methylcyclohexanecarboxylate (PubChem CID 10773477) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl 2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound NameEthyl 2-methylcyclohexanecarboxylate
PubChem CID10773477
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl 2-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1C
InChIInChI=1S/C10H18O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyHBJZBPQYTLKQBY-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity154

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclohexanoate
CID 18686
3-Methylbutyl octanoate
CID 16255
Isoamyl decanoate
CID 75320
Bis(2-ethylhexyl) azelate
CID 7642
Methyl cyclohexanecarboxylate
CID 20748
Ethyl cyclohexane propionate
CID 61466
Diisononyl hexahydrophthalate
CID 11524680
Ethyl cyclohexylacetate
CID 21595
2-Methylbutyl octanoate
CID 530406
2-Methylbutyl decanoate
CID 3017826
Di-2-ethylhexyl sebacate
CID 31218
Cetearyl Ethylhexanoate
CID 42956

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-methylcyclohexanecarboxylate?
The IUPAC name of Ethyl 2-methylcyclohexanecarboxylate (CID 10773477) is ethyl 2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for Ethyl 2-methylcyclohexanecarboxylate?
The canonical SMILES for Ethyl 2-methylcyclohexanecarboxylate is CCOC(=O)C1CCCCC1C.
What is the InChIKey of Ethyl 2-methylcyclohexanecarboxylate?
The InChIKey is HBJZBPQYTLKQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of Ethyl 2-methylcyclohexanecarboxylate?
Ethyl 2-methylcyclohexanecarboxylate has a molecular weight of 170.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-methylcyclohexanecarboxylate is sourced from PubChem (CID 10773477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).