1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane

C14H26O2 — CID 138626206

IUPAC1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane
SMILESCOC(C)OCC12CCCC(CC(C)C1)C2
InChIInChI=1S/C14H26O2/c1-11-7-13-5-4-6-14(8-11,9-13)10-16-12(2)15-3/h11-13H,4-10H2,1-3H3
InChIKeyQBYINDWJWDAHFZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.60
Rot. Bonds4

About 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane

1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane (PubChem CID 138626206) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane
PubChem CID138626206
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane
SMILESCOC(C)OCC12CCCC(CC(C)C1)C2
InChIInChI=1S/C14H26O2/c1-11-7-13-5-4-6-14(8-11,9-13)10-16-12(2)15-3/h11-13H,4-10H2,1-3H3
InChIKeyQBYINDWJWDAHFZ-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 139399772
2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite
CID 129058819
1-(3-methylbutyl)-3-propan-2-ylbicyclo[3.3.1]nonane
CID 158792530
1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
CID 170521217
3-methylbicyclo[3.3.1]nonane-1-carbaldehyde
CID 123691668
3,7-dimethyl-1-(propoxymethyl)bicyclo[3.3.1]nonane
CID 146600142
1-[[(2R)-3-methylbutan-2-yl]oxymethyl]adamantane
CID 59584178
1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate
CID 138626102
1-[1-(2-bicyclo[2.2.1]heptanyloxy)ethyl]-3-methylbicyclo[3.3.1]nonane
CID 71135602
1-propylbicyclo[3.3.1]nonane
CID 23320022
2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid
CID 148550736
5-(1-methoxyethoxymethyl)-5-methylbicyclo[2.2.1]hept-2-ene
CID 22336715

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane?
The IUPAC name of 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane (CID 138626206) is 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane.
What is the SMILES notation for 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane?
The canonical SMILES for 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane is COC(C)OCC12CCCC(CC(C)C1)C2.
What is the InChIKey of 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane?
The InChIKey is QBYINDWJWDAHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11-7-13-5-4-6-14(8-11,9-13)10-16-12(2)15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane?
1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane has a molecular weight of 226.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane is sourced from PubChem (CID 138626206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).