2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal

C20H40O5 — CID 173369822

IUPAC2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal
SMILESCC(C)OCC(COC(C)C)C(C=O)C(COC(C)C)COC(C)C
InChIInChI=1S/C20H40O5/c1-14(2)22-10-18(11-23-15(3)4)20(9-21)19(12-24-16(5)6)13-25-17(7)8/h9,14-20H,10-13H2,1-8H3
InChIKeyZHIMMNUUCXLRBF-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.73
Rot. Bonds15

About 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal

2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal (PubChem CID 173369822) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal.

Molecular Properties

Compound Name2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal
PubChem CID173369822
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal
SMILESCC(C)OCC(COC(C)C)C(C=O)C(COC(C)C)COC(C)C
InChIInChI=1S/C20H40O5/c1-14(2)22-10-18(11-23-15(3)4)20(9-21)19(12-24-16(5)6)13-25-17(7)8/h9,14-20H,10-13H2,1-8H3
InChIKeyZHIMMNUUCXLRBF-UHFFFAOYSA-N
XLogP3.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal?
The IUPAC name of 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal (CID 173369822) is 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal.
What is the SMILES notation for 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal?
The canonical SMILES for 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal is CC(C)OCC(COC(C)C)C(C=O)C(COC(C)C)COC(C)C.
What is the InChIKey of 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal?
The InChIKey is ZHIMMNUUCXLRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-14(2)22-10-18(11-23-15(3)4)20(9-21)19(12-24-16(5)6)13-25-17(7)8/h9,14-20H,10-13H2,1-8H3.
What are the key properties of 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal?
2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal has a molecular weight of 360.54 g/mol, XLogP of 3.73, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-di(propan-2-yloxy)propan-2-yl]-4-propan-2-yloxy-3-(propan-2-yloxymethyl)butanal is sourced from PubChem (CID 173369822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).