[(1R,2S)-2-methylcyclohexyl] formate

C8H14O2 — CID 18611348

IUPAC[(1R,2S)-2-methylcyclohexyl] formate
SMILESC[C@H]1CCCC[C@H]1OC=O
InChIInChI=1S/C8H14O2/c1-7-4-2-3-5-8(7)10-6-9/h6-8H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyPTQHZDILJKFROG-JGVFFNPUSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds2

About [(1R,2S)-2-methylcyclohexyl] formate

[(1R,2S)-2-methylcyclohexyl] formate (PubChem CID 18611348) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(1R,2S)-2-methylcyclohexyl] formate.

Molecular Properties

Compound Name[(1R,2S)-2-methylcyclohexyl] formate
PubChem CID18611348
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(1R,2S)-2-methylcyclohexyl] formate
SMILESC[C@H]1CCCC[C@H]1OC=O
InChIInChI=1S/C8H14O2/c1-7-4-2-3-5-8(7)10-6-9/h6-8H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyPTQHZDILJKFROG-JGVFFNPUSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methylcyclohexyl] formate?
The IUPAC name of [(1R,2S)-2-methylcyclohexyl] formate (CID 18611348) is [(1R,2S)-2-methylcyclohexyl] formate.
What is the SMILES notation for [(1R,2S)-2-methylcyclohexyl] formate?
The canonical SMILES for [(1R,2S)-2-methylcyclohexyl] formate is C[C@H]1CCCC[C@H]1OC=O.
What is the InChIKey of [(1R,2S)-2-methylcyclohexyl] formate?
The InChIKey is PTQHZDILJKFROG-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-4-2-3-5-8(7)10-6-9/h6-8H,2-5H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(1R,2S)-2-methylcyclohexyl] formate?
[(1R,2S)-2-methylcyclohexyl] formate has a molecular weight of 142.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methylcyclohexyl] formate is sourced from PubChem (CID 18611348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).