tert-butyl 1-butylcyclohexane-1-carboxylate

C15H28O2 — CID 150671065

IUPACtert-butyl 1-butylcyclohexane-1-carboxylate
SMILESCCCCC1(C(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H28O2/c1-5-6-10-15(11-8-7-9-12-15)13(16)17-14(2,3)4/h5-12H2,1-4H3
InChIKeyJFWUJJBBQUEPRY-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds4

About tert-butyl 1-butylcyclohexane-1-carboxylate

tert-butyl 1-butylcyclohexane-1-carboxylate (PubChem CID 150671065) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is tert-butyl 1-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-butylcyclohexane-1-carboxylate
PubChem CID150671065
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nametert-butyl 1-butylcyclohexane-1-carboxylate
SMILESCCCCC1(C(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H28O2/c1-5-6-10-15(11-8-7-9-12-15)13(16)17-14(2,3)4/h5-12H2,1-4H3
InChIKeyJFWUJJBBQUEPRY-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-butylcyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 1-butylcyclohexane-1-carboxylate (CID 150671065) is tert-butyl 1-butylcyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-butylcyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 1-butylcyclohexane-1-carboxylate is CCCCC1(C(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of tert-butyl 1-butylcyclohexane-1-carboxylate?
The InChIKey is JFWUJJBBQUEPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-6-10-15(11-8-7-9-12-15)13(16)17-14(2,3)4/h5-12H2,1-4H3.
What are the key properties of tert-butyl 1-butylcyclohexane-1-carboxylate?
tert-butyl 1-butylcyclohexane-1-carboxylate has a molecular weight of 240.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 150671065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).