ethane;2-(2-methoxyethoxy)butane

C9H22O2 — CID 168922397

IUPACethane;2-(2-methoxyethoxy)butane
SMILESCC.CCC(C)OCCOC
InChIInChI=1S/C7H16O2.C2H6/c1-4-7(2)9-6-5-8-3;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyAYVMQWVODAQUDR-UHFFFAOYSA-N
MW162.27 g/mol
LogP2.47
Rot. Bonds5

About ethane;2-(2-methoxyethoxy)butane

ethane;2-(2-methoxyethoxy)butane (PubChem CID 168922397) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is ethane;2-(2-methoxyethoxy)butane.

Molecular Properties

Compound Nameethane;2-(2-methoxyethoxy)butane
PubChem CID168922397
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Nameethane;2-(2-methoxyethoxy)butane
SMILESCC.CCC(C)OCCOC
InChIInChI=1S/C7H16O2.C2H6/c1-4-7(2)9-6-5-8-3;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyAYVMQWVODAQUDR-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
CID 91062489
2-(2-methoxyethoxy)octadecane
CID 89276167
N-[2-(2-methoxyethoxy)propyl]pentan-3-amine
CID 62567271
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
4-(2-methoxyethoxy)pentan-2-ol
CID 64721506
1,2-dimethoxyethane;ethane
CID 91349162
N-ethyl-4-(2-methoxyethoxy)pentan-2-amine
CID 64708312
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
N,N'-bis[2-(2-methoxyethoxy)propyl]ethane-1,2-diamine
CID 58589932

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxyethoxy)butane?
The IUPAC name of ethane;2-(2-methoxyethoxy)butane (CID 168922397) is ethane;2-(2-methoxyethoxy)butane.
What is the SMILES notation for ethane;2-(2-methoxyethoxy)butane?
The canonical SMILES for ethane;2-(2-methoxyethoxy)butane is CC.CCC(C)OCCOC.
What is the InChIKey of ethane;2-(2-methoxyethoxy)butane?
The InChIKey is AYVMQWVODAQUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C2H6/c1-4-7(2)9-6-5-8-3;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-methoxyethoxy)butane?
ethane;2-(2-methoxyethoxy)butane has a molecular weight of 162.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxyethoxy)butane is sourced from PubChem (CID 168922397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).