2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane

C27H52O4 — CID 123598850

IUPAC2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane
SMILESCCCOC1OC(CC)C(C(CC)(CC)OC2OC(CC)C(C)C(C)C2C)C(C)C1C
InChIInChI=1S/C27H52O4/c1-11-16-28-25-21(10)19(8)24(23(13-3)30-25)27(14-4,15-5)31-26-20(9)17(6)18(7)22(12-2)29-26/h17-26H,11-16H2,1-10H3
InChIKeyKAVQGOSWOZWCRA-UHFFFAOYSA-N
MW440.71 g/mol
LogP7.05
Rot. Bonds10

About 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane

2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane (PubChem CID 123598850) has the molecular formula C27H52O4 and a molecular weight of 440.71 g/mol. Its IUPAC name is 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane.

Molecular Properties

Compound Name2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane
PubChem CID123598850
Molecular FormulaC27H52O4
Molecular Weight440.71 g/mol
Exact Mass440.39
IUPAC Name2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane
SMILESCCCOC1OC(CC)C(C(CC)(CC)OC2OC(CC)C(C)C(C)C2C)C(C)C1C
InChIInChI=1S/C27H52O4/c1-11-16-28-25-21(10)19(8)24(23(13-3)30-25)27(14-4,15-5)31-26-20(9)17(6)18(7)22(12-2)29-26/h17-26H,11-16H2,1-10H3
InChIKeyKAVQGOSWOZWCRA-UHFFFAOYSA-N
XLogP7.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane with MolForge

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Related Compounds

(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane
CID 122599309
1-[(3R,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-N-methylmethanamine
CID 118460692
6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol
CID 90760576
6-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyhexan-2-one
CID 155642872
tris((2S,4S,5S)-2-butoxy-6-ethyl-3,4,5-trimethyloxane);3,3-diethylpentane;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;tetrakis(2H-triazole)
CID 159305613
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315
(2R,4R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 58794899
(2R,4S,5S)-6-ethyl-2-heptoxy-4,5-dimethyloxan-3-ol
CID 163584230
2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid
CID 118668933
(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane
CID 134169133
(3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol
CID 71155338
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane?
The IUPAC name of 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane (CID 123598850) is 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane.
What is the SMILES notation for 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane?
The canonical SMILES for 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane is CCCOC1OC(CC)C(C(CC)(CC)OC2OC(CC)C(C)C(C)C2C)C(C)C1C.
What is the InChIKey of 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane?
The InChIKey is KAVQGOSWOZWCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52O4/c1-11-16-28-25-21(10)19(8)24(23(13-3)30-25)27(14-4,15-5)31-26-20(9)17(6)18(7)22(12-2)29-26/h17-26H,11-16H2,1-10H3.
What are the key properties of 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane?
2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane has a molecular weight of 440.71 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane is sourced from PubChem (CID 123598850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).