3,7-diethyl-5,5-bis(methoxymethyl)undecane

C19H40O2 — CID 122444816

IUPAC3,7-diethyl-5,5-bis(methoxymethyl)undecane
SMILESCCCCC(CC)CC(COC)(COC)CC(CC)CC
InChIInChI=1S/C19H40O2/c1-7-11-12-18(10-4)14-19(15-20-5,16-21-6)13-17(8-2)9-3/h17-18H,7-16H2,1-6H3
InChIKeyAWPOYCTWUWDIHA-UHFFFAOYSA-N
MW300.53 g/mol
LogP5.70
Rot. Bonds14

About 3,7-diethyl-5,5-bis(methoxymethyl)undecane

3,7-diethyl-5,5-bis(methoxymethyl)undecane (PubChem CID 122444816) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 3,7-diethyl-5,5-bis(methoxymethyl)undecane.

Molecular Properties

Compound Name3,7-diethyl-5,5-bis(methoxymethyl)undecane
PubChem CID122444816
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name3,7-diethyl-5,5-bis(methoxymethyl)undecane
SMILESCCCCC(CC)CC(COC)(COC)CC(CC)CC
InChIInChI=1S/C19H40O2/c1-7-11-12-18(10-4)14-19(15-20-5,16-21-6)13-17(8-2)9-3/h17-18H,7-16H2,1-6H3
InChIKeyAWPOYCTWUWDIHA-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
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1-chloro-4-ethyl-2,2-dimethyloctane
CID 66060389
2-(aminomethyl)-2,4-diethyloctan-1-ol
CID 106508240
6,6-bis(2-ethylbutyl)undecane
CID 174469307
4,4-bis(2-ethylhexyl)heptanedioic acid
CID 172816539
3,5-diethylnonan-3-amine
CID 63408454
5,5-bis(methoxymethyl)-3-methylnonane
CID 141250163
2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol
CID 106507791
5,5-bis(2-ethylhexyl)nonanedioic acid
CID 141156273
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-5,5-bis(methoxymethyl)undecane?
The IUPAC name of 3,7-diethyl-5,5-bis(methoxymethyl)undecane (CID 122444816) is 3,7-diethyl-5,5-bis(methoxymethyl)undecane.
What is the SMILES notation for 3,7-diethyl-5,5-bis(methoxymethyl)undecane?
The canonical SMILES for 3,7-diethyl-5,5-bis(methoxymethyl)undecane is CCCCC(CC)CC(COC)(COC)CC(CC)CC.
What is the InChIKey of 3,7-diethyl-5,5-bis(methoxymethyl)undecane?
The InChIKey is AWPOYCTWUWDIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-7-11-12-18(10-4)14-19(15-20-5,16-21-6)13-17(8-2)9-3/h17-18H,7-16H2,1-6H3.
What are the key properties of 3,7-diethyl-5,5-bis(methoxymethyl)undecane?
3,7-diethyl-5,5-bis(methoxymethyl)undecane has a molecular weight of 300.53 g/mol, XLogP of 5.70, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-5,5-bis(methoxymethyl)undecane is sourced from PubChem (CID 122444816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).