7-methoxy-3,3,7-trimethylnonan-1-ol

C13H28O2 — CID 88874451

IUPAC7-methoxy-3,3,7-trimethylnonan-1-ol
SMILESCCC(C)(CCCC(C)(C)CCO)OC
InChIInChI=1S/C13H28O2/c1-6-13(4,15-5)9-7-8-12(2,3)10-11-14/h14H,6-11H2,1-5H3
InChIKeyAZBYTCCZYYRQCN-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.38
Rot. Bonds8

About 7-methoxy-3,3,7-trimethylnonan-1-ol

7-methoxy-3,3,7-trimethylnonan-1-ol (PubChem CID 88874451) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 7-methoxy-3,3,7-trimethylnonan-1-ol.

Molecular Properties

Compound Name7-methoxy-3,3,7-trimethylnonan-1-ol
PubChem CID88874451
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name7-methoxy-3,3,7-trimethylnonan-1-ol
SMILESCCC(C)(CCCC(C)(C)CCO)OC
InChIInChI=1S/C13H28O2/c1-6-13(4,15-5)9-7-8-12(2,3)10-11-14/h14H,6-11H2,1-5H3
InChIKeyAZBYTCCZYYRQCN-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-methyldodecane
CID 150409844
3-methoxy-3,7-dimethylnonane
CID 118351298
3,3-dimethyloctan-1-ol
CID 18704344
7-fluoro-3,3,7-trimethyloctan-1-ol
CID 138725917
14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
6-amino-3,3-dimethylhexan-1-ol
CID 134232147
(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol
CID 22749793
7-(6-hydroxy-5,5-dimethylhexoxy)-3,3-dimethylheptan-1-ol
CID 59111002
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
1,17-dihydroxy-3,3,15,15-tetramethylheptadecane-7,11-dione
CID 23431441
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,3,7-trimethylnonan-1-ol?
The IUPAC name of 7-methoxy-3,3,7-trimethylnonan-1-ol (CID 88874451) is 7-methoxy-3,3,7-trimethylnonan-1-ol.
What is the SMILES notation for 7-methoxy-3,3,7-trimethylnonan-1-ol?
The canonical SMILES for 7-methoxy-3,3,7-trimethylnonan-1-ol is CCC(C)(CCCC(C)(C)CCO)OC.
What is the InChIKey of 7-methoxy-3,3,7-trimethylnonan-1-ol?
The InChIKey is AZBYTCCZYYRQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-13(4,15-5)9-7-8-12(2,3)10-11-14/h14H,6-11H2,1-5H3.
What are the key properties of 7-methoxy-3,3,7-trimethylnonan-1-ol?
7-methoxy-3,3,7-trimethylnonan-1-ol has a molecular weight of 216.36 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,3,7-trimethylnonan-1-ol is sourced from PubChem (CID 88874451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).