2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal

C14H26O2 — CID 174651164

IUPAC2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal
SMILESCCCC(C=O)C1(COC)CCCCC1C
InChIInChI=1S/C14H26O2/c1-4-7-13(10-15)14(11-16-3)9-6-5-8-12(14)2/h10,12-13H,4-9,11H2,1-3H3
InChIKeyLNOAIIMJTGKWSV-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.44
Rot. Bonds6

About 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal

2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal (PubChem CID 174651164) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal.

Molecular Properties

Compound Name2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal
PubChem CID174651164
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal
SMILESCCCC(C=O)C1(COC)CCCCC1C
InChIInChI=1S/C14H26O2/c1-4-7-13(10-15)14(11-16-3)9-6-5-8-12(14)2/h10,12-13H,4-9,11H2,1-3H3
InChIKeyLNOAIIMJTGKWSV-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.44
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

1-ethyl-1-heptan-4-yl-2-methylcyclodecane
CID 123827321
2-methyl-1-propoxycyclohexane-1-carbaldehyde
CID 165494983
1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
1-butyl-2-methyl-1-propan-2-ylcyclohexane
CID 174787138
2-methyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892270
1-methoxy-2-methylcyclohexane-1-carbaldehyde
CID 130743446
1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one
CID 66919900
pentan-2-yl 1-amino-2-methylcyclohexane-1-carboxylate
CID 102982441
2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal
CID 174719247
1-(1-methoxy-2-methylcyclohexyl)butan-1-one
CID 83225703
2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane
CID 139896276
3-ethyl-1-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]heptan-1-one
CID 66919797

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal?
The IUPAC name of 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal (CID 174651164) is 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal.
What is the SMILES notation for 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal?
The canonical SMILES for 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal is CCCC(C=O)C1(COC)CCCCC1C.
What is the InChIKey of 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal?
The InChIKey is LNOAIIMJTGKWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-7-13(10-15)14(11-16-3)9-6-5-8-12(14)2/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal?
2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal has a molecular weight of 226.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal is sourced from PubChem (CID 174651164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).