methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde

C10H20O2 — CID 142164429

IUPACmethoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
SMILESCOC.C[C@H]1CCCCC1C=O
InChIInChI=1S/C8H14O.C2H6O/c1-7-4-2-3-5-8(7)6-9;1-3-2/h6-8H,2-5H2,1H3;1-2H3/t7-,8?;/m0./s1
InChIKeyPSVAOQISEMXANH-JPPWUZRISA-N
MW172.27 g/mol
LogP2.27
Rot. Bonds1

About methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde

methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde (PubChem CID 142164429) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namemethoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
PubChem CID142164429
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namemethoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
SMILESCOC.C[C@H]1CCCCC1C=O
InChIInChI=1S/C8H14O.C2H6O/c1-7-4-2-3-5-8(7)6-9;1-3-2/h6-8H,2-5H2,1H3;1-2H3/t7-,8?;/m0./s1
InChIKeyPSVAOQISEMXANH-JPPWUZRISA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-methyl (1S,2R)-2-formylcyclohexane-1-carboxylate
CID 11126697
2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 88851779
2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
CID 88959857
(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde
CID 173500000
2-[7-(2,6-dimethylcyclohexyl)heptyl]cyclohexane-1-carbaldehyde
CID 88960006
2-(methylamino)cyclohexane-1-carbaldehyde
CID 22969368
[(1R,2S)-2-methylcyclohexyl] formate
CID 18611348
cis-(1S,2S)-2-aminocyclohexane-1-carbaldehyde
CID 102087752
5-methoxycyclopentadecane-1-carbaldehyde
CID 130421288
(E)-2-[(1S)-2-methylcyclohexyl]ethenol
CID 173491373
trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde
CID 101130734
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710

Frequently Asked Questions

What is the IUPAC name of methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde?
The IUPAC name of methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde (CID 142164429) is methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde.
What is the SMILES notation for methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde?
The canonical SMILES for methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde is COC.C[C@H]1CCCCC1C=O.
What is the InChIKey of methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde?
The InChIKey is PSVAOQISEMXANH-JPPWUZRISA-N. The full InChI is InChI=1S/C8H14O.C2H6O/c1-7-4-2-3-5-8(7)6-9;1-3-2/h6-8H,2-5H2,1H3;1-2H3/t7-,8?;/m0./s1.
What are the key properties of methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde?
methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde has a molecular weight of 172.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 142164429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).