ethane;1-methoxy-3,3-dimethylbutane

C11H28O — CID 143141249

IUPACethane;1-methoxy-3,3-dimethylbutane
SMILESCC.CC.COCCC(C)(C)C
InChIInChI=1S/C7H16O.2C2H6/c1-7(2,3)5-6-8-4;2*1-2/h5-6H2,1-4H3;2*1-2H3
InChIKeySTXKFUGLOPXXHP-UHFFFAOYSA-N
MW176.34 g/mol
LogP4.12
Rot. Bonds2

About ethane;1-methoxy-3,3-dimethylbutane

ethane;1-methoxy-3,3-dimethylbutane (PubChem CID 143141249) has the molecular formula C11H28O and a molecular weight of 176.34 g/mol. Its IUPAC name is ethane;1-methoxy-3,3-dimethylbutane.

Molecular Properties

Compound Nameethane;1-methoxy-3,3-dimethylbutane
PubChem CID143141249
Molecular FormulaC11H28O
Molecular Weight176.34 g/mol
Exact Mass176.21
IUPAC Nameethane;1-methoxy-3,3-dimethylbutane
SMILESCC.CC.COCCC(C)(C)C
InChIInChI=1S/C7H16O.2C2H6/c1-7(2,3)5-6-8-4;2*1-2/h5-6H2,1-4H3;2*1-2H3
InChIKeySTXKFUGLOPXXHP-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.34
LogP ≤ 54.12
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
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
CID 87217040
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1,2-dimethoxyethane;ethane
CID 91349162
ethane;1-methoxy-3,3-dimethylheptane
CID 142973962
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
3,3-dimethyl-1-sulfanyloxybutane
CID 140639628
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3,3-dimethylbutane?
The IUPAC name of ethane;1-methoxy-3,3-dimethylbutane (CID 143141249) is ethane;1-methoxy-3,3-dimethylbutane.
What is the SMILES notation for ethane;1-methoxy-3,3-dimethylbutane?
The canonical SMILES for ethane;1-methoxy-3,3-dimethylbutane is CC.CC.COCCC(C)(C)C.
What is the InChIKey of ethane;1-methoxy-3,3-dimethylbutane?
The InChIKey is STXKFUGLOPXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.2C2H6/c1-7(2,3)5-6-8-4;2*1-2/h5-6H2,1-4H3;2*1-2H3.
What are the key properties of ethane;1-methoxy-3,3-dimethylbutane?
ethane;1-methoxy-3,3-dimethylbutane has a molecular weight of 176.34 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3,3-dimethylbutane is sourced from PubChem (CID 143141249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).