(4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C15H26O2 — CID 566196

IUPAC(4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1CCC(OC(=O)C2C(C)(C)C2(C)C)CC1
InChIInChI=1S/C15H26O2/c1-10-6-8-11(9-7-10)17-13(16)12-14(2,3)15(12,4)5/h10-12H,6-9H2,1-5H3
InChIKeyNUANOXWEZRINTM-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.79
Rot. Bonds2

About (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate

(4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 566196) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID566196
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1CCC(OC(=O)C2C(C)(C)C2(C)C)CC1
InChIInChI=1S/C15H26O2/c1-10-6-8-11(9-7-10)17-13(16)12-14(2,3)15(12,4)5/h10-12H,6-9H2,1-5H3
InChIKeyNUANOXWEZRINTM-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 566196) is (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate is CC1CCC(OC(=O)C2C(C)(C)C2(C)C)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is NUANOXWEZRINTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-6-8-11(9-7-10)17-13(16)12-14(2,3)15(12,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
(4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 238.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 566196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).