(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol

C17H36O — CID 54763066

IUPAC(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
SMILESCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)CO
InChIInChI=1S/C17H36O/c1-7-13(2)8-14(3)9-15(4)10-16(5)11-17(6)12-18/h13-18H,7-12H2,1-6H3/t13-,14-,15-,16-,17+/m1/s1
InChIKeyNMKKIXGMAYQBKP-HHARLNAUSA-N
MW256.47 g/mol
LogP5.13
Rot. Bonds10

About (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol

(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol (PubChem CID 54763066) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol.

Molecular Properties

Compound Name(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
PubChem CID54763066
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
SMILESCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)CO
InChIInChI=1S/C17H36O/c1-7-13(2)8-14(3)9-15(4)10-16(5)11-17(6)12-18/h13-18H,7-12H2,1-6H3/t13-,14-,15-,16-,17+/m1/s1
InChIKeyNMKKIXGMAYQBKP-HHARLNAUSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methylbutan-1-ol;zirconium
CID 152608404
3,5-dimethylheptane;ethane
CID 172617343
3,5,7,10,12-pentamethyltetradecane
CID 59582352
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
2,4,6,8-tetramethyldecane
CID 54224604
(3S,5R)-3,5-dimethylheptan-1-ol
CID 99134990
(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
CID 129322484
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol?
The IUPAC name of (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol (CID 54763066) is (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol.
What is the SMILES notation for (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol?
The canonical SMILES for (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol is CC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)CO.
What is the InChIKey of (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol?
The InChIKey is NMKKIXGMAYQBKP-HHARLNAUSA-N. The full InChI is InChI=1S/C17H36O/c1-7-13(2)8-14(3)9-15(4)10-16(5)11-17(6)12-18/h13-18H,7-12H2,1-6H3/t13-,14-,15-,16-,17+/m1/s1.
What are the key properties of (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol?
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol has a molecular weight of 256.47 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol is sourced from PubChem (CID 54763066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).