8-ethyl-2,2,4-trimethyldodecan-6-ol

C17H36O — CID 19788763

IUPAC8-ethyl-2,2,4-trimethyldodecan-6-ol
SMILESCCCCC(CC)CC(O)CC(C)CC(C)(C)C
InChIInChI=1S/C17H36O/c1-7-9-10-15(8-2)12-16(18)11-14(3)13-17(4,5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyXIXZRVFQPMXYFK-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.42
Rot. Bonds9

About 8-ethyl-2,2,4-trimethyldodecan-6-ol

8-ethyl-2,2,4-trimethyldodecan-6-ol (PubChem CID 19788763) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 8-ethyl-2,2,4-trimethyldodecan-6-ol.

Molecular Properties

Compound Name8-ethyl-2,2,4-trimethyldodecan-6-ol
PubChem CID19788763
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name8-ethyl-2,2,4-trimethyldodecan-6-ol
SMILESCCCCC(CC)CC(O)CC(C)CC(C)(C)C
InChIInChI=1S/C17H36O/c1-7-9-10-15(8-2)12-16(18)11-14(3)13-17(4,5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyXIXZRVFQPMXYFK-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4-trimethylundecan-6-ol
CID 115784414
2,2,4,8-tetramethylundecan-6-ol
CID 115789018
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
5,11-diethyl-8,8-dimethylpentadecane-7,9-diol
CID 140569222
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
CID 107152038
hexane;2,2,4-trimethyloctane
CID 174278610
6-ethyldecane-1,4-diol
CID 106677709
(4R,7R)-7-ethyl-2-methylundecan-4-ol
CID 36690392
5-ethylnonane-2,3-diol
CID 87935287
6-ethyl-3,3-dimethyldecan-4-ol
CID 114981382
tributyl-[5,7,7-trimethyl-2-(2,4,4-trimethylpentyl)octyl]phosphanium
CID 59676416

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,2,4-trimethyldodecan-6-ol?
The IUPAC name of 8-ethyl-2,2,4-trimethyldodecan-6-ol (CID 19788763) is 8-ethyl-2,2,4-trimethyldodecan-6-ol.
What is the SMILES notation for 8-ethyl-2,2,4-trimethyldodecan-6-ol?
The canonical SMILES for 8-ethyl-2,2,4-trimethyldodecan-6-ol is CCCCC(CC)CC(O)CC(C)CC(C)(C)C.
What is the InChIKey of 8-ethyl-2,2,4-trimethyldodecan-6-ol?
The InChIKey is XIXZRVFQPMXYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-7-9-10-15(8-2)12-16(18)11-14(3)13-17(4,5)6/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 8-ethyl-2,2,4-trimethyldodecan-6-ol?
8-ethyl-2,2,4-trimethyldodecan-6-ol has a molecular weight of 256.47 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,2,4-trimethyldodecan-6-ol is sourced from PubChem (CID 19788763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).