3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol

C21H41FO — CID 91338240

IUPAC3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol
SMILESC=C(C(C)(F)CC)C(CC)(CC)C(C)(CC)CC(O)(CC)CC
InChIInChI=1S/C21H41FO/c1-10-18(8,16-20(23,12-3)13-4)21(14-5,15-6)17(7)19(9,22)11-2/h23H,7,10-16H2,1-6,8-9H3
InChIKeyLPDYQAWBULDYOZ-UHFFFAOYSA-N
MW328.56 g/mol
LogP6.84
Rot. Bonds11

About 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol

3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol (PubChem CID 91338240) has the molecular formula C21H41FO and a molecular weight of 328.56 g/mol. Its IUPAC name is 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol.

Molecular Properties

Compound Name3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol
PubChem CID91338240
Molecular FormulaC21H41FO
Molecular Weight328.56 g/mol
Exact Mass328.31
IUPAC Name3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol
SMILESC=C(C(C)(F)CC)C(CC)(CC)C(C)(CC)CC(O)(CC)CC
InChIInChI=1S/C21H41FO/c1-10-18(8,16-20(23,12-3)13-4)21(14-5,15-6)17(7)19(9,22)11-2/h23H,7,10-16H2,1-6,8-9H3
InChIKeyLPDYQAWBULDYOZ-UHFFFAOYSA-N
XLogP6.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.56
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol 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

3-ethyl-1,1,1-trifluoropentan-3-ol
CID 89115603
3-ethyl-2,3-dimethylpentan-2-ol
CID 53428948
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol
CID 137410444
2-fluoro-2-methylbutanoic acid
CID 11366977
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
3-(aminomethyl)-3,4-dimethylheptan-4-ol
CID 80560039
sodium;3-ethylpentan-3-ol;hydride
CID 174311267
2-methyl-2-(trifluoromethyl)butane-1,1-diol
CID 162587850
5-ethyl-2,2,4,4,5-pentamethylheptane
CID 57492867
ethylbenzene;3-fluoro-3-methylpent-1-en-2-ol
CID 143236275
2,3-dimethyl-2-propylpentane-1,3-diol
CID 54558043

Frequently Asked Questions

What is the IUPAC name of 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol?
The IUPAC name of 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol (CID 91338240) is 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol.
What is the SMILES notation for 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol?
The canonical SMILES for 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol is C=C(C(C)(F)CC)C(CC)(CC)C(C)(CC)CC(O)(CC)CC.
What is the InChIKey of 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol?
The InChIKey is LPDYQAWBULDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FO/c1-10-18(8,16-20(23,12-3)13-4)21(14-5,15-6)17(7)19(9,22)11-2/h23H,7,10-16H2,1-6,8-9H3.
What are the key properties of 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol?
3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol has a molecular weight of 328.56 g/mol, XLogP of 6.84, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,6-tetraethyl-8-fluoro-5,8-dimethyl-7-methylidenedecan-3-ol is sourced from PubChem (CID 91338240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).