6,7-diethyldodecane-5,8-diol

C16H34O2 — CID 166728697

IUPAC6,7-diethyldodecane-5,8-diol
SMILESCCCCC(O)C(CC)C(CC)C(O)CCCC
InChIInChI=1S/C16H34O2/c1-5-9-11-15(17)13(7-3)14(8-4)16(18)12-10-6-2/h13-18H,5-12H2,1-4H3
InChIKeyMDOWUGMSORHDAU-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.14
Rot. Bonds11

About 6,7-diethyldodecane-5,8-diol

6,7-diethyldodecane-5,8-diol (PubChem CID 166728697) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 6,7-diethyldodecane-5,8-diol.

Molecular Properties

Compound Name6,7-diethyldodecane-5,8-diol
PubChem CID166728697
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name6,7-diethyldodecane-5,8-diol
SMILESCCCCC(O)C(CC)C(CC)C(O)CCCC
InChIInChI=1S/C16H34O2/c1-5-9-11-15(17)13(7-3)14(8-4)16(18)12-10-6-2/h13-18H,5-12H2,1-4H3
InChIKeyMDOWUGMSORHDAU-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,7-diethyldodecane-5,8-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-octane-3,4-diol
CID 132990515
(2R,3R)-1-chloroheptane-2,3-diol
CID 102376959
1,1-dichlorohexan-2-ol
CID 11019309
octadecane-5,9,10,14-tetrol
CID 123917796
nonacosane-14,15-diol
CID 91509633
5-butylundecan-6-ol
CID 89253058
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
2-ethyl-3-hydroxyheptanenitrile
CID 79131820
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
7-ethyl-2-methylundecan-6-ol
CID 115829942
5-ethyltetradecane-6,7-diol
CID 22726226

Frequently Asked Questions

What is the IUPAC name of 6,7-diethyldodecane-5,8-diol?
The IUPAC name of 6,7-diethyldodecane-5,8-diol (CID 166728697) is 6,7-diethyldodecane-5,8-diol.
What is the SMILES notation for 6,7-diethyldodecane-5,8-diol?
The canonical SMILES for 6,7-diethyldodecane-5,8-diol is CCCCC(O)C(CC)C(CC)C(O)CCCC.
What is the InChIKey of 6,7-diethyldodecane-5,8-diol?
The InChIKey is MDOWUGMSORHDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-5-9-11-15(17)13(7-3)14(8-4)16(18)12-10-6-2/h13-18H,5-12H2,1-4H3.
What are the key properties of 6,7-diethyldodecane-5,8-diol?
6,7-diethyldodecane-5,8-diol has a molecular weight of 258.45 g/mol, XLogP of 4.14, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyldodecane-5,8-diol is sourced from PubChem (CID 166728697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).