1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane

C13H28O3 — CID 121420083

IUPAC1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane
SMILESCCOC(C)OCC(CC(C)C)OC(C)C
InChIInChI=1S/C13H28O3/c1-7-14-12(6)15-9-13(8-10(2)3)16-11(4)5/h10-13H,7-9H2,1-6H3
InChIKeyPZTPAMKLJFIFLS-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.23
Rot. Bonds9

About 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane

1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane (PubChem CID 121420083) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane
PubChem CID121420083
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane
SMILESCCOC(C)OCC(CC(C)C)OC(C)C
InChIInChI=1S/C13H28O3/c1-7-14-12(6)15-9-13(8-10(2)3)16-11(4)5/h10-13H,7-9H2,1-6H3
InChIKeyPZTPAMKLJFIFLS-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
1-butoxy-4-methyl-2-propan-2-yloxypentane
CID 138514678
1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
2-ethoxy-3-propan-2-yloxypropan-1-amine
CID 63069873
4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
9-(1-ethoxyethoxymethyl)nonadecane
CID 88960911
3-(1-ethoxyethoxymethyl)heptane
CID 173293823

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane?
The IUPAC name of 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane (CID 121420083) is 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane.
What is the SMILES notation for 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane?
The canonical SMILES for 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane is CCOC(C)OCC(CC(C)C)OC(C)C.
What is the InChIKey of 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane?
The InChIKey is PZTPAMKLJFIFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-7-14-12(6)15-9-13(8-10(2)3)16-11(4)5/h10-13H,7-9H2,1-6H3.
What are the key properties of 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane?
1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane has a molecular weight of 232.36 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane is sourced from PubChem (CID 121420083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).