1,10-bis(2-butoxyethoxy)decane

C22H46O4 — CID 90257337

IUPAC1,10-bis(2-butoxyethoxy)decane
SMILESCCCCOCCOCCCCCCCCCCOCCOCCCC
InChIInChI=1S/C22H46O4/c1-3-5-15-23-19-21-25-17-13-11-9-7-8-10-12-14-18-26-22-20-24-16-6-4-2/h3-22H2,1-2H3
InChIKeyBYTZVDGHFISPFU-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.77
Rot. Bonds23

About 1,10-bis(2-butoxyethoxy)decane

1,10-bis(2-butoxyethoxy)decane (PubChem CID 90257337) has the molecular formula C22H46O4 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1,10-bis(2-butoxyethoxy)decane.

Molecular Properties

Compound Name1,10-bis(2-butoxyethoxy)decane
PubChem CID90257337
Molecular FormulaC22H46O4
Molecular Weight374.61 g/mol
Exact Mass374.34
IUPAC Name1,10-bis(2-butoxyethoxy)decane
SMILESCCCCOCCOCCCCCCCCCCOCCOCCCC
InChIInChI=1S/C22H46O4/c1-3-5-15-23-19-21-25-17-13-11-9-7-8-10-12-14-18-26-22-20-24-16-6-4-2/h3-22H2,1-2H3
InChIKeyBYTZVDGHFISPFU-UHFFFAOYSA-N
XLogP5.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-butoxydotriacontane
CID 91693232
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 1,10-bis(2-butoxyethoxy)decane?
The IUPAC name of 1,10-bis(2-butoxyethoxy)decane (CID 90257337) is 1,10-bis(2-butoxyethoxy)decane.
What is the SMILES notation for 1,10-bis(2-butoxyethoxy)decane?
The canonical SMILES for 1,10-bis(2-butoxyethoxy)decane is CCCCOCCOCCCCCCCCCCOCCOCCCC.
What is the InChIKey of 1,10-bis(2-butoxyethoxy)decane?
The InChIKey is BYTZVDGHFISPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4/c1-3-5-15-23-19-21-25-17-13-11-9-7-8-10-12-14-18-26-22-20-24-16-6-4-2/h3-22H2,1-2H3.
What are the key properties of 1,10-bis(2-butoxyethoxy)decane?
1,10-bis(2-butoxyethoxy)decane has a molecular weight of 374.61 g/mol, XLogP of 5.77, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis(2-butoxyethoxy)decane is sourced from PubChem (CID 90257337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).