2,9-diethyl-2,9-dimethyldecane-1,10-diol

C16H34O2 — CID 3069679

IUPAC2,9-diethyl-2,9-dimethyldecane-1,10-diol
SMILESCCC(C)(CO)CCCCCCC(C)(CC)CO
InChIInChI=1S/C16H34O2/c1-5-15(3,13-17)11-9-7-8-10-12-16(4,6-2)14-18/h17-18H,5-14H2,1-4H3
InChIKeyVIILEJYILYNGOK-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.14
Rot. Bonds11

About 2,9-diethyl-2,9-dimethyldecane-1,10-diol

2,9-diethyl-2,9-dimethyldecane-1,10-diol (PubChem CID 3069679) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,9-diethyl-2,9-dimethyldecane-1,10-diol.

Molecular Properties

Compound Name2,9-diethyl-2,9-dimethyldecane-1,10-diol
PubChem CID3069679
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,9-diethyl-2,9-dimethyldecane-1,10-diol
SMILESCCC(C)(CO)CCCCCCC(C)(CC)CO
InChIInChI=1S/C16H34O2/c1-5-15(3,13-17)11-9-7-8-10-12-16(4,6-2)14-18/h17-18H,5-14H2,1-4H3
InChIKeyVIILEJYILYNGOK-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

Computed Properties (RDKit)

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

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Related Compounds

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CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
(2S)-2-ethyl-2-methylbutane-1,4-diol
CID 89138945
2-methyl-2-propyldecan-1-ol
CID 66025468
5-ethoxy-2-ethyl-2-methylpentan-1-ol
CID 66059379
4-amino-2-ethyl-2-methylbutan-1-ol
CID 105427654
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225

Frequently Asked Questions

What is the IUPAC name of 2,9-diethyl-2,9-dimethyldecane-1,10-diol?
The IUPAC name of 2,9-diethyl-2,9-dimethyldecane-1,10-diol (CID 3069679) is 2,9-diethyl-2,9-dimethyldecane-1,10-diol.
What is the SMILES notation for 2,9-diethyl-2,9-dimethyldecane-1,10-diol?
The canonical SMILES for 2,9-diethyl-2,9-dimethyldecane-1,10-diol is CCC(C)(CO)CCCCCCC(C)(CC)CO.
What is the InChIKey of 2,9-diethyl-2,9-dimethyldecane-1,10-diol?
The InChIKey is VIILEJYILYNGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-5-15(3,13-17)11-9-7-8-10-12-16(4,6-2)14-18/h17-18H,5-14H2,1-4H3.
What are the key properties of 2,9-diethyl-2,9-dimethyldecane-1,10-diol?
2,9-diethyl-2,9-dimethyldecane-1,10-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 2,9-diethyl-2,9-dimethyldecane-1,10-diol is sourced from PubChem (CID 3069679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).