methyl 2-butylcyclohexane-1-carboxylate

C12H22O2 — CID 12933616

IUPACmethyl 2-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCCCC1C(=O)OC
InChIInChI=1S/C12H22O2/c1-3-4-7-10-8-5-6-9-11(10)12(13)14-2/h10-11H,3-9H2,1-2H3
InChIKeyFCCZNHRRLGAKGH-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.16
Rot. Bonds4

About methyl 2-butylcyclohexane-1-carboxylate

methyl 2-butylcyclohexane-1-carboxylate (PubChem CID 12933616) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is methyl 2-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-butylcyclohexane-1-carboxylate
PubChem CID12933616
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namemethyl 2-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCCCC1C(=O)OC
InChIInChI=1S/C12H22O2/c1-3-4-7-10-8-5-6-9-11(10)12(13)14-2/h10-11H,3-9H2,1-2H3
InChIKeyFCCZNHRRLGAKGH-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-butylcyclohexane-1-carboxylate?
The IUPAC name of methyl 2-butylcyclohexane-1-carboxylate (CID 12933616) is methyl 2-butylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-butylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-butylcyclohexane-1-carboxylate is CCCCC1CCCCC1C(=O)OC.
What is the InChIKey of methyl 2-butylcyclohexane-1-carboxylate?
The InChIKey is FCCZNHRRLGAKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-7-10-8-5-6-9-11(10)12(13)14-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 2-butylcyclohexane-1-carboxylate?
methyl 2-butylcyclohexane-1-carboxylate has a molecular weight of 198.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 12933616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).