3,5-dimethyl-1-propan-2-yloxyhexane

C11H24O — CID 155609202

IUPAC3,5-dimethyl-1-propan-2-yloxyhexane
SMILESCC(C)CC(C)CCOC(C)C
InChIInChI=1S/C11H24O/c1-9(2)8-11(5)6-7-12-10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyFJLQQQOMSWVKQU-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.48
Rot. Bonds6

About 3,5-dimethyl-1-propan-2-yloxyhexane

3,5-dimethyl-1-propan-2-yloxyhexane (PubChem CID 155609202) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yloxyhexane.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yloxyhexane
PubChem CID155609202
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3,5-dimethyl-1-propan-2-yloxyhexane
SMILESCC(C)CC(C)CCOC(C)C
InChIInChI=1S/C11H24O/c1-9(2)8-11(5)6-7-12-10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyFJLQQQOMSWVKQU-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-(2-propan-2-yloxyethyl)pentan-1-ol
CID 66060463
4-methyl-3-(4-methylpentan-2-yloxy)-1-propan-2-yloxypentane
CID 123262229
1-hydroperoxy-4,6-dimethylheptane
CID 23324453
3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
CID 88620872
6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane
CID 162457350
2-(2-propan-2-yloxyethyl)propane-1,3-diol
CID 79450702
1-bromo-3,5-dimethylhexane
CID 10867183
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
CID 114997752
4-propan-2-yloxybutan-2-ylhydrazine
CID 130964571
(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 158122452

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yloxyhexane?
The IUPAC name of 3,5-dimethyl-1-propan-2-yloxyhexane (CID 155609202) is 3,5-dimethyl-1-propan-2-yloxyhexane.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yloxyhexane?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yloxyhexane is CC(C)CC(C)CCOC(C)C.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yloxyhexane?
The InChIKey is FJLQQQOMSWVKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-9(2)8-11(5)6-7-12-10(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yloxyhexane?
3,5-dimethyl-1-propan-2-yloxyhexane has a molecular weight of 172.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yloxyhexane is sourced from PubChem (CID 155609202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).