3-methyl-3-(3-methylbutoxy)hexane

C12H26O — CID 91309958

IUPAC3-methyl-3-(3-methylbutoxy)hexane
SMILESCCCC(C)(CC)OCCC(C)C
InChIInChI=1S/C12H26O/c1-6-9-12(5,7-2)13-10-8-11(3)4/h11H,6-10H2,1-5H3
InChIKeyPERNRLRAWAIMKG-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds7

About 3-methyl-3-(3-methylbutoxy)hexane

3-methyl-3-(3-methylbutoxy)hexane (PubChem CID 91309958) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-methyl-3-(3-methylbutoxy)hexane.

Molecular Properties

Compound Name3-methyl-3-(3-methylbutoxy)hexane
PubChem CID91309958
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3-methyl-3-(3-methylbutoxy)hexane
SMILESCCCC(C)(CC)OCCC(C)C
InChIInChI=1S/C12H26O/c1-6-9-12(5,7-2)13-10-8-11(3)4/h11H,6-10H2,1-5H3
InChIKeyPERNRLRAWAIMKG-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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

2-(4,7-dimethyloctan-4-yloxy)ethanol
CID 142712645
tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate
CID 118409061
2-(3-methylbutoxy)butan-2-amine
CID 176953255
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879
1-methoxy-3-methyl-3-(3-methylpentoxy)pentane
CID 89083438
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
3-chloro-4-(3-methylhexan-3-yloxy)butan-2-ol
CID 91250027
O-(3-methylhexan-3-yl)hydroxylamine
CID 163872522
1-(3-methylhexan-3-yloxy)ethanol
CID 87753364
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane
CID 178134897
2-methoxy-4,6-dimethyl-4-propoxyheptane
CID 135038604

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylbutoxy)hexane?
The IUPAC name of 3-methyl-3-(3-methylbutoxy)hexane (CID 91309958) is 3-methyl-3-(3-methylbutoxy)hexane.
What is the SMILES notation for 3-methyl-3-(3-methylbutoxy)hexane?
The canonical SMILES for 3-methyl-3-(3-methylbutoxy)hexane is CCCC(C)(CC)OCCC(C)C.
What is the InChIKey of 3-methyl-3-(3-methylbutoxy)hexane?
The InChIKey is PERNRLRAWAIMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-9-12(5,7-2)13-10-8-11(3)4/h11H,6-10H2,1-5H3.
What are the key properties of 3-methyl-3-(3-methylbutoxy)hexane?
3-methyl-3-(3-methylbutoxy)hexane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylbutoxy)hexane is sourced from PubChem (CID 91309958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).