1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal

C16H34O7 — CID 160741055

IUPAC1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal
SMILESCCOC(CCCOCOC)OCC.COCOCCCC=O
InChIInChI=1S/C10H22O4.C6H12O3/c1-4-13-10(14-5-2)7-6-8-12-9-11-3;1-8-6-9-5-3-2-4-7/h10H,4-9H2,1-3H3;4H,2-3,5-6H2,1H3
InChIKeyRVOXOPOUBDCJFM-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.37
Rot. Bonds16

About 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal

1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal (PubChem CID 160741055) has the molecular formula C16H34O7 and a molecular weight of 338.44 g/mol. Its IUPAC name is 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal.

Molecular Properties

Compound Name1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal
PubChem CID160741055
Molecular FormulaC16H34O7
Molecular Weight338.44 g/mol
Exact Mass338.23
IUPAC Name1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal
SMILESCCOC(CCCOCOC)OCC.COCOCCCC=O
InChIInChI=1S/C10H22O4.C6H12O3/c1-4-13-10(14-5-2)7-6-8-12-9-11-3;1-8-6-9-5-3-2-4-7/h10H,4-9H2,1-3H3;4H,2-3,5-6H2,1H3
InChIKeyRVOXOPOUBDCJFM-UHFFFAOYSA-N
XLogP2.37
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal?
The IUPAC name of 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal (CID 160741055) is 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal.
What is the SMILES notation for 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal?
The canonical SMILES for 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal is CCOC(CCCOCOC)OCC.COCOCCCC=O.
What is the InChIKey of 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal?
The InChIKey is RVOXOPOUBDCJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.C6H12O3/c1-4-13-10(14-5-2)7-6-8-12-9-11-3;1-8-6-9-5-3-2-4-7/h10H,4-9H2,1-3H3;4H,2-3,5-6H2,1H3.
What are the key properties of 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal?
1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal has a molecular weight of 338.44 g/mol, XLogP of 2.37, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-4-(methoxymethoxy)butane;4-(methoxymethoxy)butanal is sourced from PubChem (CID 160741055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).