1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one

C16H30O2 — CID 66919900

IUPAC1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one
SMILESCCCCCCC(=O)C1(COC)CCCCC1C
InChIInChI=1S/C16H30O2/c1-4-5-6-7-11-15(17)16(13-18-3)12-9-8-10-14(16)2/h14H,4-13H2,1-3H3
InChIKeyHVICHQCGHHZVGU-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.37
Rot. Bonds8

About 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one

1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one (PubChem CID 66919900) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one
PubChem CID66919900
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one
SMILESCCCCCCC(=O)C1(COC)CCCCC1C
InChIInChI=1S/C16H30O2/c1-4-5-6-7-11-15(17)16(13-18-3)12-9-8-10-14(16)2/h14H,4-13H2,1-3H3
InChIKeyHVICHQCGHHZVGU-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxy-2-methylcyclohexyl)nonan-1-one
CID 154113917
1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one
CID 67427162
1-(1-methoxy-4-methylcyclohexyl)octan-1-one
CID 116749039
N-[1-(aminomethyl)-2-methylcyclohexyl]nonanamide
CID 115308344
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729
1-(1-methoxy-2-methylcyclohexyl)butan-1-one
CID 83225703
1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one
CID 66919644
1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one
CID 67372813
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779
1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one
CID 67498292
1-(1-aminocyclobutyl)octan-1-one
CID 116598372

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one (CID 66919900) is 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one is CCCCCCC(=O)C1(COC)CCCCC1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one?
The InChIKey is HVICHQCGHHZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-5-6-7-11-15(17)16(13-18-3)12-9-8-10-14(16)2/h14H,4-13H2,1-3H3.
What are the key properties of 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one?
1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one has a molecular weight of 254.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-2-methylcyclohexyl]heptan-1-one is sourced from PubChem (CID 66919900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).