6-ethyldecane-1,4-diol

C12H26O2 — CID 106677709

IUPAC6-ethyldecane-1,4-diol
SMILESCCCCC(CC)CC(O)CCCO
InChIInChI=1S/C12H26O2/c1-3-5-7-11(4-2)10-12(14)8-6-9-13/h11-14H,3-10H2,1-2H3
InChIKeyGTPRXUFHWRVQRG-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.73
Rot. Bonds9

About 6-ethyldecane-1,4-diol

6-ethyldecane-1,4-diol (PubChem CID 106677709) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 6-ethyldecane-1,4-diol.

Molecular Properties

Compound Name6-ethyldecane-1,4-diol
PubChem CID106677709
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name6-ethyldecane-1,4-diol
SMILESCCCCC(CC)CC(O)CCCO
InChIInChI=1S/C12H26O2/c1-3-5-7-11(4-2)10-12(14)8-6-9-13/h11-14H,3-10H2,1-2H3
InChIKeyGTPRXUFHWRVQRG-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118889856
2-ethyldecane-1,4-diol
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CID 174824955
3,6-diethylnonane-1,9-diol
CID 19787583
(5R,7S)-undecane-5,7-diol
CID 10899409
5-ethylnonane-1,2,3-triol;pentane-1,3-diol
CID 87704146
4-ethyltridecan-1-ol
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(2R,4S)-4-ethyloctan-2-ol
CID 7015159
4-ethyldecan-1-ol
CID 91002231
9-hexylheptadecan-7-ol
CID 19871685
2-hexyldecane-1,4-diol
CID 54102250
(4R,7R)-7-ethyl-2-methylundecan-4-ol
CID 36690392

Frequently Asked Questions

What is the IUPAC name of 6-ethyldecane-1,4-diol?
The IUPAC name of 6-ethyldecane-1,4-diol (CID 106677709) is 6-ethyldecane-1,4-diol.
What is the SMILES notation for 6-ethyldecane-1,4-diol?
The canonical SMILES for 6-ethyldecane-1,4-diol is CCCCC(CC)CC(O)CCCO.
What is the InChIKey of 6-ethyldecane-1,4-diol?
The InChIKey is GTPRXUFHWRVQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-3-5-7-11(4-2)10-12(14)8-6-9-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 6-ethyldecane-1,4-diol?
6-ethyldecane-1,4-diol has a molecular weight of 202.34 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyldecane-1,4-diol is sourced from PubChem (CID 106677709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).