ethane;1-methoxy-3-methylbutane

C10H26O — CID 144580604

IUPACethane;1-methoxy-3-methylbutane
SMILESCC.CC.COCCC(C)C
InChIInChI=1S/C6H14O.2C2H6/c1-6(2)4-5-7-3;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3
InChIKeyQJRJHHOHKUWJLT-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.73
Rot. Bonds3

About ethane;1-methoxy-3-methylbutane

ethane;1-methoxy-3-methylbutane (PubChem CID 144580604) has the molecular formula C10H26O and a molecular weight of 162.32 g/mol. Its IUPAC name is ethane;1-methoxy-3-methylbutane.

Molecular Properties

Compound Nameethane;1-methoxy-3-methylbutane
PubChem CID144580604
Molecular FormulaC10H26O
Molecular Weight162.32 g/mol
Exact Mass162.20
IUPAC Nameethane;1-methoxy-3-methylbutane
SMILESCC.CC.COCCC(C)C
InChIInChI=1S/C6H14O.2C2H6/c1-6(2)4-5-7-3;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3
InChIKeyQJRJHHOHKUWJLT-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
1-methoxy-3,10-dimethylundecane
CID 154134706
ethane;5-methoxy-N,N,2,3-tetramethylpentan-1-amine
CID 144662875
1-methoxy-4,8-dimethylnonane
CID 90974533
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
1,2-dimethoxyethane;ethane
CID 91349162
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3-methylbutane?
The IUPAC name of ethane;1-methoxy-3-methylbutane (CID 144580604) is ethane;1-methoxy-3-methylbutane.
What is the SMILES notation for ethane;1-methoxy-3-methylbutane?
The canonical SMILES for ethane;1-methoxy-3-methylbutane is CC.CC.COCCC(C)C.
What is the InChIKey of ethane;1-methoxy-3-methylbutane?
The InChIKey is QJRJHHOHKUWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.2C2H6/c1-6(2)4-5-7-3;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-methoxy-3-methylbutane?
ethane;1-methoxy-3-methylbutane has a molecular weight of 162.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3-methylbutane is sourced from PubChem (CID 144580604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).