1-methoxy-3,3,4,5-tetramethylhexane

C11H24O — CID 123458984

IUPAC1-methoxy-3,3,4,5-tetramethylhexane
SMILESCOCCC(C)(C)C(C)C(C)C
InChIInChI=1S/C11H24O/c1-9(2)10(3)11(4,5)7-8-12-6/h9-10H,7-8H2,1-6H3
InChIKeyDCXDEPWJYDKLON-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.34
Rot. Bonds5

About 1-methoxy-3,3,4,5-tetramethylhexane

1-methoxy-3,3,4,5-tetramethylhexane (PubChem CID 123458984) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-methoxy-3,3,4,5-tetramethylhexane.

Molecular Properties

Compound Name1-methoxy-3,3,4,5-tetramethylhexane
PubChem CID123458984
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-methoxy-3,3,4,5-tetramethylhexane
SMILESCOCCC(C)(C)C(C)C(C)C
InChIInChI=1S/C11H24O/c1-9(2)10(3)11(4,5)7-8-12-6/h9-10H,7-8H2,1-6H3
InChIKeyDCXDEPWJYDKLON-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
2,3,4,4,8-pentamethyldecane
CID 123715687
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
1-methoxy-3,5-dimethylheptan-3-ol
CID 65146816
3,3-dimethylbutan-1-ol;1-methoxy-3,3-dimethylbutane;2,5,5-trimethylhexan-3-ol
CID 158069873
1-methoxy-3-(2-methoxyethyl)-3-methylhexane
CID 57212260
1,1,1,3-tetramethoxypropane
CID 10920853
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030
1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
CID 175249202

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,3,4,5-tetramethylhexane?
The IUPAC name of 1-methoxy-3,3,4,5-tetramethylhexane (CID 123458984) is 1-methoxy-3,3,4,5-tetramethylhexane.
What is the SMILES notation for 1-methoxy-3,3,4,5-tetramethylhexane?
The canonical SMILES for 1-methoxy-3,3,4,5-tetramethylhexane is COCCC(C)(C)C(C)C(C)C.
What is the InChIKey of 1-methoxy-3,3,4,5-tetramethylhexane?
The InChIKey is DCXDEPWJYDKLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-9(2)10(3)11(4,5)7-8-12-6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-methoxy-3,3,4,5-tetramethylhexane?
1-methoxy-3,3,4,5-tetramethylhexane has a molecular weight of 172.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,3,4,5-tetramethylhexane is sourced from PubChem (CID 123458984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).