4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol

C12H26O4 — CID 91589542

IUPAC4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol
SMILESCCOC(CCOCCCCO)OC(C)C
InChIInChI=1S/C12H26O4/c1-4-15-12(16-11(2)3)7-10-14-9-6-5-8-13/h11-13H,4-10H2,1-3H3
InChIKeyISJYYXHHLXBPOA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds11

About 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol

4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol (PubChem CID 91589542) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol.

Molecular Properties

Compound Name4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol
PubChem CID91589542
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol
SMILESCCOC(CCOCCCCO)OC(C)C
InChIInChI=1S/C12H26O4/c1-4-15-12(16-11(2)3)7-10-14-9-6-5-8-13/h11-13H,4-10H2,1-3H3
InChIKeyISJYYXHHLXBPOA-UHFFFAOYSA-N
XLogP1.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane
CID 82789960
10-ethoxydecan-1-ol
CID 22412883
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
4-(3,3-diaminopropoxy)butan-1-ol
CID 154140242
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
CID 55248600
9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
3-(1-ethoxypropoxy)propan-1-ol
CID 57019436

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol?
The IUPAC name of 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol (CID 91589542) is 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol.
What is the SMILES notation for 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol?
The canonical SMILES for 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol is CCOC(CCOCCCCO)OC(C)C.
What is the InChIKey of 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol?
The InChIKey is ISJYYXHHLXBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-4-15-12(16-11(2)3)7-10-14-9-6-5-8-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol?
4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol is sourced from PubChem (CID 91589542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).