2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol

C14H28O3 — CID 85158047

IUPAC2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
SMILESCC(CO)CCCC(C)COC1CCCCO1
InChIInChI=1S/C14H28O3/c1-12(10-15)6-5-7-13(2)11-17-14-8-3-4-9-16-14/h12-15H,3-11H2,1-2H3
InChIKeyRQIJDZWIXXEKET-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.96
Rot. Bonds8

About 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol

2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol (PubChem CID 85158047) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol.

Molecular Properties

Compound Name2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
PubChem CID85158047
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
SMILESCC(CO)CCCC(C)COC1CCCCO1
InChIInChI=1S/C14H28O3/c1-12(10-15)6-5-7-13(2)11-17-14-8-3-4-9-16-14/h12-15H,3-11H2,1-2H3
InChIKeyRQIJDZWIXXEKET-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
CID 10400301
2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol
CID 10400448
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
CID 158281779
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane
CID 140697805
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol?
The IUPAC name of 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol (CID 85158047) is 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol.
What is the SMILES notation for 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol?
The canonical SMILES for 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol is CC(CO)CCCC(C)COC1CCCCO1.
What is the InChIKey of 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol?
The InChIKey is RQIJDZWIXXEKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-12(10-15)6-5-7-13(2)11-17-14-8-3-4-9-16-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol?
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol is sourced from PubChem (CID 85158047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).