ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate

C15H28O2 — CID 18471787

IUPACethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(C(CC)C(C)C)CC1
InChIInChI=1S/C15H28O2/c1-5-14(11(3)4)12-7-9-13(10-8-12)15(16)17-6-2/h11-14H,5-10H2,1-4H3
InChIKeyJBNQMTWNFMGBBM-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.04
Rot. Bonds5

About ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate

ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate (PubChem CID 18471787) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate
PubChem CID18471787
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nameethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(C(CC)C(C)C)CC1
InChIInChI=1S/C15H28O2/c1-5-14(11(3)4)12-7-9-13(10-8-12)15(16)17-6-2/h11-14H,5-10H2,1-4H3
InChIKeyJBNQMTWNFMGBBM-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate (CID 18471787) is ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(C(CC)C(C)C)CC1.
What is the InChIKey of ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate?
The InChIKey is JBNQMTWNFMGBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-14(11(3)4)12-7-9-13(10-8-12)15(16)17-6-2/h11-14H,5-10H2,1-4H3.
What are the key properties of ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate?
ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate has a molecular weight of 240.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 18471787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).