1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane

C19H40O7 — CID 20753173

IUPAC1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane
SMILESCCCCOCC(COC)(COC)COCC(COC)(COC)COC
InChIInChI=1S/C19H40O7/c1-7-8-9-25-15-19(13-23-5,14-24-6)17-26-16-18(10-20-2,11-21-3)12-22-4/h7-17H2,1-6H3
InChIKeyHCTOUAOBMJJBSI-UHFFFAOYSA-N
MW380.52 g/mol
LogP2.02
Rot. Bonds19

About 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane

1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane (PubChem CID 20753173) has the molecular formula C19H40O7 and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane.

Molecular Properties

Compound Name1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane
PubChem CID20753173
Molecular FormulaC19H40O7
Molecular Weight380.52 g/mol
Exact Mass380.28
IUPAC Name1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane
SMILESCCCCOCC(COC)(COC)COCC(COC)(COC)COC
InChIInChI=1S/C19H40O7/c1-7-8-9-25-15-19(13-23-5,14-24-6)17-26-16-18(10-20-2,11-21-3)12-22-4/h7-17H2,1-6H3
InChIKeyHCTOUAOBMJJBSI-UHFFFAOYSA-N
XLogP2.02
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane?
The IUPAC name of 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane (CID 20753173) is 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane.
What is the SMILES notation for 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane?
The canonical SMILES for 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane is CCCCOCC(COC)(COC)COCC(COC)(COC)COC.
What is the InChIKey of 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane?
The InChIKey is HCTOUAOBMJJBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O7/c1-7-8-9-25-15-19(13-23-5,14-24-6)17-26-16-18(10-20-2,11-21-3)12-22-4/h7-17H2,1-6H3.
What are the key properties of 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane?
1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane has a molecular weight of 380.52 g/mol, XLogP of 2.02, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]-3-methoxy-2,2-bis(methoxymethyl)propane is sourced from PubChem (CID 20753173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).