3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol

C10H22O3 — CID 4077517

IUPAC3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
SMILESCC(C)(C)OCCCOCCCO
InChIInChI=1S/C10H22O3/c1-10(2,3)13-9-5-8-12-7-4-6-11/h11H,4-9H2,1-3H3
InChIKeyAAISFOKTTIQKLN-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.59
Rot. Bonds7

About 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol

3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol (PubChem CID 4077517) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
PubChem CID4077517
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
SMILESCC(C)(C)OCCCOCCCO
InChIInChI=1S/C10H22O3/c1-10(2,3)13-9-5-8-12-7-4-6-11/h11H,4-9H2,1-3H3
InChIKeyAAISFOKTTIQKLN-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595009
2-[2-[2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596591
2-[2-[2-[2-[2-[2-[2-[2-[14-[(2-methylpropan-2-yl)oxy]tetradecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596860
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
CID 10517899
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026
3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
CID 87545299
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol?
The IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol (CID 4077517) is 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol.
What is the SMILES notation for 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol?
The canonical SMILES for 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol is CC(C)(C)OCCCOCCCO.
What is the InChIKey of 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol?
The InChIKey is AAISFOKTTIQKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-10(2,3)13-9-5-8-12-7-4-6-11/h11H,4-9H2,1-3H3.
What are the key properties of 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol?
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol has a molecular weight of 190.28 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol is sourced from PubChem (CID 4077517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).