1-(1-ethoxypropoxy)-3-methylbutane

C10H22O2 — CID 53422435

IUPAC1-(1-ethoxypropoxy)-3-methylbutane
SMILESCCOC(CC)OCCC(C)C
InChIInChI=1S/C10H22O2/c1-5-10(11-6-2)12-8-7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyWMLCXIOXLJBRRH-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.82
Rot. Bonds7

About 1-(1-ethoxypropoxy)-3-methylbutane

1-(1-ethoxypropoxy)-3-methylbutane (PubChem CID 53422435) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-(1-ethoxypropoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(1-ethoxypropoxy)-3-methylbutane
PubChem CID53422435
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-(1-ethoxypropoxy)-3-methylbutane
SMILESCCOC(CC)OCCC(C)C
InChIInChI=1S/C10H22O2/c1-5-10(11-6-2)12-8-7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyWMLCXIOXLJBRRH-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethoxypropoxy)propan-1-ol
CID 57019436
1-ethoxypropoxy-bis(2-methylpropyl)alumane
CID 139905156
N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine
CID 63619021
1-ethoxypropyl hypoiodite
CID 88918187
3-deuterio-1,1-diethoxypropane
CID 15618247
3-methylbutoxymethanediol
CID 54490534
N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63618860
[5,5-diethoxy-3-(3-methylbutoxy)pentyl]benzene
CID 71383867
6-methyl-1,1-dioctoxyheptane
CID 171428766
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
3-(3-methylbutoxy)pentanenitrile
CID 43367899

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropoxy)-3-methylbutane?
The IUPAC name of 1-(1-ethoxypropoxy)-3-methylbutane (CID 53422435) is 1-(1-ethoxypropoxy)-3-methylbutane.
What is the SMILES notation for 1-(1-ethoxypropoxy)-3-methylbutane?
The canonical SMILES for 1-(1-ethoxypropoxy)-3-methylbutane is CCOC(CC)OCCC(C)C.
What is the InChIKey of 1-(1-ethoxypropoxy)-3-methylbutane?
The InChIKey is WMLCXIOXLJBRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-10(11-6-2)12-8-7-9(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(1-ethoxypropoxy)-3-methylbutane?
1-(1-ethoxypropoxy)-3-methylbutane has a molecular weight of 174.28 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropoxy)-3-methylbutane is sourced from PubChem (CID 53422435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).