3,3-bis(2-methoxyethoxy)-4-propyldodecane

C21H44O4 — CID 151863987

IUPAC3,3-bis(2-methoxyethoxy)-4-propyldodecane
SMILESCCCCCCCCC(CCC)C(CC)(OCCOC)OCCOC
InChIInChI=1S/C21H44O4/c1-6-9-10-11-12-13-15-20(14-7-2)21(8-3,24-18-16-22-4)25-19-17-23-5/h20H,6-19H2,1-5H3
InChIKeySLHBPXQEOHVGPM-UHFFFAOYSA-N
MW360.58 g/mol
LogP5.59
Rot. Bonds19

About 3,3-bis(2-methoxyethoxy)-4-propyldodecane

3,3-bis(2-methoxyethoxy)-4-propyldodecane (PubChem CID 151863987) has the molecular formula C21H44O4 and a molecular weight of 360.58 g/mol. Its IUPAC name is 3,3-bis(2-methoxyethoxy)-4-propyldodecane.

Molecular Properties

Compound Name3,3-bis(2-methoxyethoxy)-4-propyldodecane
PubChem CID151863987
Molecular FormulaC21H44O4
Molecular Weight360.58 g/mol
Exact Mass360.32
IUPAC Name3,3-bis(2-methoxyethoxy)-4-propyldodecane
SMILESCCCCCCCCC(CCC)C(CC)(OCCOC)OCCOC
InChIInChI=1S/C21H44O4/c1-6-9-10-11-12-13-15-20(14-7-2)21(8-3,24-18-16-22-4)25-19-17-23-5/h20H,6-19H2,1-5H3
InChIKeySLHBPXQEOHVGPM-UHFFFAOYSA-N
XLogP5.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dibutoxy-4-(3-methoxypropyl)dodecane
CID 158251211
4,4-dimethoxy-5-propyltridecane
CID 151317508
4,4-diethoxy-5-propyltridecane
CID 152734568
4-(1,1-diethoxypropyl)dodecyl-diethylphosphane
CID 152691310
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
1-[11-(1,1-dimethoxypropyl)nonadecyl]-2,3,4,5,6-pentafluorobenzene
CID 151173394
isocyanic acid;4-(triethoxymethyl)dodecane
CID 172765955
6-(trimethoxymethyl)tridecane
CID 151806345
2-(2-methoxyethoxy)octadecane
CID 89276167
3-[1,1-di(propan-2-yloxy)propyl]undecane-1-thiol
CID 150466211
2,2-diethoxy-3-(2-methoxyethyl)undecane;prop-1-ene
CID 157221541
silyl 2,2-diheptyl-3-propyldecanoate
CID 123286365

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-methoxyethoxy)-4-propyldodecane?
The IUPAC name of 3,3-bis(2-methoxyethoxy)-4-propyldodecane (CID 151863987) is 3,3-bis(2-methoxyethoxy)-4-propyldodecane.
What is the SMILES notation for 3,3-bis(2-methoxyethoxy)-4-propyldodecane?
The canonical SMILES for 3,3-bis(2-methoxyethoxy)-4-propyldodecane is CCCCCCCCC(CCC)C(CC)(OCCOC)OCCOC.
What is the InChIKey of 3,3-bis(2-methoxyethoxy)-4-propyldodecane?
The InChIKey is SLHBPXQEOHVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O4/c1-6-9-10-11-12-13-15-20(14-7-2)21(8-3,24-18-16-22-4)25-19-17-23-5/h20H,6-19H2,1-5H3.
What are the key properties of 3,3-bis(2-methoxyethoxy)-4-propyldodecane?
3,3-bis(2-methoxyethoxy)-4-propyldodecane has a molecular weight of 360.58 g/mol, XLogP of 5.59, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-methoxyethoxy)-4-propyldodecane is sourced from PubChem (CID 151863987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).