3-(2,2-dimethylpropoxy)heptane

C12H26O — CID 91257292

IUPAC3-(2,2-dimethylpropoxy)heptane
SMILESCCCCC(CC)OCC(C)(C)C
InChIInChI=1S/C12H26O/c1-6-8-9-11(7-2)13-10-12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyWZMUBUXTJFKHKG-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds6

About 3-(2,2-dimethylpropoxy)heptane

3-(2,2-dimethylpropoxy)heptane (PubChem CID 91257292) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)heptane.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)heptane
PubChem CID91257292
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3-(2,2-dimethylpropoxy)heptane
SMILESCCCCC(CC)OCC(C)(C)C
InChIInChI=1S/C12H26O/c1-6-8-9-11(7-2)13-10-12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyWZMUBUXTJFKHKG-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propoxyheptane
CID 91289422
3-(difluoromethoxy)heptane
CID 162428896
2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
CID 160593936
3-(heptan-3-yloxymethyl)heptane
CID 90211738
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
3-(2,2-dimethylpropoxy)-2,2-dimethyldecane
CID 141041946
5-ethoxynonane
CID 91187482
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172858925
3,7-didodecoxydodecane
CID 123502949
1-(4-octoxyhexoxy)nonane
CID 173430678

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)heptane?
The IUPAC name of 3-(2,2-dimethylpropoxy)heptane (CID 91257292) is 3-(2,2-dimethylpropoxy)heptane.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)heptane?
The canonical SMILES for 3-(2,2-dimethylpropoxy)heptane is CCCCC(CC)OCC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropoxy)heptane?
The InChIKey is WZMUBUXTJFKHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-8-9-11(7-2)13-10-12(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropoxy)heptane?
3-(2,2-dimethylpropoxy)heptane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)heptane is sourced from PubChem (CID 91257292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).