1-propoxy-4-(triethoxymethyl)dodecane

C22H46O4 — CID 151853083

IUPAC1-propoxy-4-(triethoxymethyl)dodecane
SMILESCCCCCCCCC(CCCOCCC)C(OCC)(OCC)OCC
InChIInChI=1S/C22H46O4/c1-6-11-12-13-14-15-17-21(18-16-20-23-19-7-2)22(24-8-3,25-9-4)26-10-5/h21H,6-20H2,1-5H3
InChIKeySJCOQWGDJZJTJY-UHFFFAOYSA-N
MW374.61 g/mol
LogP6.32
Rot. Bonds20

About 1-propoxy-4-(triethoxymethyl)dodecane

1-propoxy-4-(triethoxymethyl)dodecane (PubChem CID 151853083) has the molecular formula C22H46O4 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-propoxy-4-(triethoxymethyl)dodecane.

Molecular Properties

Compound Name1-propoxy-4-(triethoxymethyl)dodecane
PubChem CID151853083
Molecular FormulaC22H46O4
Molecular Weight374.61 g/mol
Exact Mass374.34
IUPAC Name1-propoxy-4-(triethoxymethyl)dodecane
SMILESCCCCCCCCC(CCCOCCC)C(OCC)(OCC)OCC
InChIInChI=1S/C22H46O4/c1-6-11-12-13-14-15-17-21(18-16-20-23-19-7-2)22(24-8-3,25-9-4)26-10-5/h21H,6-20H2,1-5H3
InChIKeySJCOQWGDJZJTJY-UHFFFAOYSA-N
XLogP6.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 56.32
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

(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
1-ethylperoxy-4-(triethoxymethyl)dodecane
CID 151956548
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
1,2,3,4,5-pentafluoro-6-[4-(triethoxymethyl)dodecoxy]benzene
CID 151799681
1-butoxy-4-(2-propoxypropan-2-yl)dodecane
CID 151293545
isocyanic acid;4-(triethoxymethyl)dodecane
CID 172765955
1-iodo-4-(tripropoxymethyl)dodecane
CID 151194630
(4R)-N-ethyl-4-(triethoxymethyl)dodecan-1-amine
CID 150711202
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
11-(triethoxymethyl)nonadec-1-ene
CID 150184812
1-(1-ethoxyethoxy)-4-(tripropoxymethyl)dodecane
CID 150837931

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-4-(triethoxymethyl)dodecane?
The IUPAC name of 1-propoxy-4-(triethoxymethyl)dodecane (CID 151853083) is 1-propoxy-4-(triethoxymethyl)dodecane.
What is the SMILES notation for 1-propoxy-4-(triethoxymethyl)dodecane?
The canonical SMILES for 1-propoxy-4-(triethoxymethyl)dodecane is CCCCCCCCC(CCCOCCC)C(OCC)(OCC)OCC.
What is the InChIKey of 1-propoxy-4-(triethoxymethyl)dodecane?
The InChIKey is SJCOQWGDJZJTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4/c1-6-11-12-13-14-15-17-21(18-16-20-23-19-7-2)22(24-8-3,25-9-4)26-10-5/h21H,6-20H2,1-5H3.
What are the key properties of 1-propoxy-4-(triethoxymethyl)dodecane?
1-propoxy-4-(triethoxymethyl)dodecane has a molecular weight of 374.61 g/mol, XLogP of 6.32, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-4-(triethoxymethyl)dodecane is sourced from PubChem (CID 151853083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).