8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol

C16H34O3 — CID 170925289

IUPAC8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
SMILESCCC(CCCCO)CCCC(CCO)CCCO
InChIInChI=1S/C16H34O3/c1-2-15(7-3-4-12-17)8-5-9-16(11-14-19)10-6-13-18/h15-19H,2-14H2,1H3
InChIKeyOFAIMIWZDDBZNJ-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.12
Rot. Bonds14

About 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol

8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol (PubChem CID 170925289) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol.

Molecular Properties

Compound Name8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
PubChem CID170925289
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
SMILESCCC(CCCCO)CCCC(CCO)CCCO
InChIInChI=1S/C16H34O3/c1-2-15(7-3-4-12-17)8-5-9-16(11-14-19)10-6-13-18/h15-19H,2-14H2,1H3
InChIKeyOFAIMIWZDDBZNJ-UHFFFAOYSA-N
XLogP3.12
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-ethyloctane-1,8-diol
CID 118889766
(3R)-3-ethylhexane-1,6-diol
CID 118889856
3,6-diethylnonane-1,9-diol
CID 19787583
5-ethyloctan-1-ol
CID 22492547
10-ethyldodecan-1-ol
CID 18475243
4-ethyldecan-1-ol
CID 91002231
3-octyldodecane-1,12-diol
CID 141481121
4-ethyltridecan-1-ol
CID 20550506
18-ethylhenicosan-1-ol
CID 87097708
azane;3-ethylhenicosan-1-ol
CID 174815540
5-decylheptadecan-1-ol
CID 171774120
3-pentylundecan-1-ol
CID 118576679

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol?
The IUPAC name of 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol (CID 170925289) is 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol.
What is the SMILES notation for 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol?
The canonical SMILES for 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol is CCC(CCCCO)CCCC(CCO)CCCO.
What is the InChIKey of 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol?
The InChIKey is OFAIMIWZDDBZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-2-15(7-3-4-12-17)8-5-9-16(11-14-19)10-6-13-18/h15-19H,2-14H2,1H3.
What are the key properties of 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol?
8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol has a molecular weight of 274.44 g/mol, XLogP of 3.12, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol is sourced from PubChem (CID 170925289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).