1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane

C16H32O5 — CID 142649775

IUPAC1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane
SMILESCCCOC(OCC)(OC(C)C)OC1(OC)CCCCC1
InChIInChI=1S/C16H32O5/c1-6-13-19-16(18-7-2,20-14(3)4)21-15(17-5)11-9-8-10-12-15/h14H,6-13H2,1-5H3
InChIKeyGEEVATJGOJEINU-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.81
Rot. Bonds10

About 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane

1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane (PubChem CID 142649775) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane.

Molecular Properties

Compound Name1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane
PubChem CID142649775
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane
SMILESCCCOC(OCC)(OC(C)C)OC1(OC)CCCCC1
InChIInChI=1S/C16H32O5/c1-6-13-19-16(18-7-2,20-14(3)4)21-15(17-5)11-9-8-10-12-15/h14H,6-13H2,1-5H3
InChIKeyGEEVATJGOJEINU-UHFFFAOYSA-N
XLogP3.81
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-1-propan-2-yloxycyclohexane
CID 89137021
1,1-dipropoxycyclodecane
CID 89439642
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
1-methoxy-1-oxidooxycyclohexane
CID 102414242
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
1,1-dibutoxycyclooctane
CID 18791994
1-propoxycyclohexan-1-ol
CID 54523589
2-ethoxypropan-2-yloxy-[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxysilane
CID 174053359
1-tert-butylperoxy-1-methoxycyclohexane
CID 14573035
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
CID 175344436
(1-methoxycyclopentyl)oxy-trimethylsilane
CID 58221009
2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane
CID 151701925

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane?
The IUPAC name of 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane (CID 142649775) is 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane.
What is the SMILES notation for 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane?
The canonical SMILES for 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane is CCCOC(OCC)(OC(C)C)OC1(OC)CCCCC1.
What is the InChIKey of 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane?
The InChIKey is GEEVATJGOJEINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-6-13-19-16(18-7-2,20-14(3)4)21-15(17-5)11-9-8-10-12-15/h14H,6-13H2,1-5H3.
What are the key properties of 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane?
1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane has a molecular weight of 304.43 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane is sourced from PubChem (CID 142649775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).