methyl 4-propan-2-ylcyclohexane-1-carboxylate

C11H20O2 — CID 11019548

IUPACmethyl 4-propan-2-ylcyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C11H20O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3
InChIKeyVONQSXKGLDMZDL-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.62
Rot. Bonds2

About methyl 4-propan-2-ylcyclohexane-1-carboxylate

methyl 4-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 11019548) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl 4-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-propan-2-ylcyclohexane-1-carboxylate
PubChem CID11019548
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl 4-propan-2-ylcyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C11H20O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3
InChIKeyVONQSXKGLDMZDL-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of methyl 4-propan-2-ylcyclohexane-1-carboxylate (CID 11019548) is methyl 4-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-propan-2-ylcyclohexane-1-carboxylate is COC(=O)C1CCC(C(C)C)CC1.
What is the InChIKey of methyl 4-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is VONQSXKGLDMZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 4-propan-2-ylcyclohexane-1-carboxylate?
methyl 4-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 184.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 11019548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).