4-(methoxymethoxy)-4-methyladamantan-1-ol

C13H22O3 — CID 156622050

IUPAC4-(methoxymethoxy)-4-methyladamantan-1-ol
SMILESCOCOC1(C)C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C13H22O3/c1-12(16-8-15-2)10-3-9-4-11(12)7-13(14,5-9)6-10/h9-11,14H,3-8H2,1-2H3
InChIKeyUBSKZMWMJRICOJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.94
Rot. Bonds3

About 4-(methoxymethoxy)-4-methyladamantan-1-ol

4-(methoxymethoxy)-4-methyladamantan-1-ol (PubChem CID 156622050) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(methoxymethoxy)-4-methyladamantan-1-ol.

Molecular Properties

Compound Name4-(methoxymethoxy)-4-methyladamantan-1-ol
PubChem CID156622050
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name4-(methoxymethoxy)-4-methyladamantan-1-ol
SMILESCOCOC1(C)C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C13H22O3/c1-12(16-8-15-2)10-3-9-4-11(12)7-13(14,5-9)6-10/h9-11,14H,3-8H2,1-2H3
InChIKeyUBSKZMWMJRICOJ-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propyladamantane-1,4-diol
CID 139814586
4-ethenyl-4-methyladamantan-1-ol
CID 134192895
4-(2-methylpropyl)adamantane-1,4-diol
CID 139814602
4-pentyladamantane-1,4-diol
CID 139814588
acetaldehyde;adamantan-1-ol
CID 175101814
adamantan-1-ol;azane
CID 66728775
(1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol
CID 11536484
spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol
CID 2835846
[3-hydroxy-5-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-1-adamantyl] 2,2-difluoropropanoate
CID 58264717
3-methylbicyclo[3.1.1]heptan-1-ol
CID 67034776
2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine
CID 62726390
5-ethoxyadamantane-1,3-diol
CID 71086173

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-4-methyladamantan-1-ol?
The IUPAC name of 4-(methoxymethoxy)-4-methyladamantan-1-ol (CID 156622050) is 4-(methoxymethoxy)-4-methyladamantan-1-ol.
What is the SMILES notation for 4-(methoxymethoxy)-4-methyladamantan-1-ol?
The canonical SMILES for 4-(methoxymethoxy)-4-methyladamantan-1-ol is COCOC1(C)C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-(methoxymethoxy)-4-methyladamantan-1-ol?
The InChIKey is UBSKZMWMJRICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-12(16-8-15-2)10-3-9-4-11(12)7-13(14,5-9)6-10/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 4-(methoxymethoxy)-4-methyladamantan-1-ol?
4-(methoxymethoxy)-4-methyladamantan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-4-methyladamantan-1-ol is sourced from PubChem (CID 156622050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).