3,5,8-triethyldecane-1,10-diol

C16H34O2 — CID 87065848

IUPAC3,5,8-triethyldecane-1,10-diol
SMILESCCC(CCO)CCC(CC)CC(CC)CCO
InChIInChI=1S/C16H34O2/c1-4-14(9-11-17)7-8-15(5-2)13-16(6-3)10-12-18/h14-18H,4-13H2,1-3H3
InChIKeyCCGWBYNXKFZLHN-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.00
Rot. Bonds12

About 3,5,8-triethyldecane-1,10-diol

3,5,8-triethyldecane-1,10-diol (PubChem CID 87065848) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 3,5,8-triethyldecane-1,10-diol.

Molecular Properties

Compound Name3,5,8-triethyldecane-1,10-diol
PubChem CID87065848
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name3,5,8-triethyldecane-1,10-diol
SMILESCCC(CCO)CCC(CC)CC(CC)CCO
InChIInChI=1S/C16H34O2/c1-4-14(9-11-17)7-8-15(5-2)13-16(6-3)10-12-18/h14-18H,4-13H2,1-3H3
InChIKeyCCGWBYNXKFZLHN-UHFFFAOYSA-N
XLogP4.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diethylnonane-1,9-diol
CID 19787583
(3R)-3-ethylhexane-1,6-diol
CID 118889856
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
3-(bromomethyl)pentan-1-ol
CID 87203201
4-ethyl-2,7-dimethylnonane-1,9-diol
CID 91142814
(3S)-3-ethyloctane-1,8-diol
CID 118889766
5,8,10-triethylpentadecane
CID 123791231
3,6-diethyloctane
CID 526424
8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
azane;3-ethylhenicosan-1-ol
CID 174815540
5-ethyl-3-methyldecan-1-ol
CID 54287791
3-ethyl-6-(methylamino)hexan-1-ol
CID 142846754

Frequently Asked Questions

What is the IUPAC name of 3,5,8-triethyldecane-1,10-diol?
The IUPAC name of 3,5,8-triethyldecane-1,10-diol (CID 87065848) is 3,5,8-triethyldecane-1,10-diol.
What is the SMILES notation for 3,5,8-triethyldecane-1,10-diol?
The canonical SMILES for 3,5,8-triethyldecane-1,10-diol is CCC(CCO)CCC(CC)CC(CC)CCO.
What is the InChIKey of 3,5,8-triethyldecane-1,10-diol?
The InChIKey is CCGWBYNXKFZLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-4-14(9-11-17)7-8-15(5-2)13-16(6-3)10-12-18/h14-18H,4-13H2,1-3H3.
What are the key properties of 3,5,8-triethyldecane-1,10-diol?
3,5,8-triethyldecane-1,10-diol has a molecular weight of 258.45 g/mol, XLogP of 4.00, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-triethyldecane-1,10-diol is sourced from PubChem (CID 87065848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).