5,11-dimethyl-8-propan-2-yldodecane-4,5-diol

C17H36O2 — CID 176507268

IUPAC5,11-dimethyl-8-propan-2-yldodecane-4,5-diol
SMILESCCCC(O)C(C)(O)CCC(CCC(C)C)C(C)C
InChIInChI=1S/C17H36O2/c1-7-8-16(18)17(6,19)12-11-15(14(4)5)10-9-13(2)3/h13-16,18-19H,7-12H2,1-6H3
InChIKeyNLJGVMJNTHJTTJ-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.39
Rot. Bonds10

About 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol

5,11-dimethyl-8-propan-2-yldodecane-4,5-diol (PubChem CID 176507268) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol.

Molecular Properties

Compound Name5,11-dimethyl-8-propan-2-yldodecane-4,5-diol
PubChem CID176507268
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name5,11-dimethyl-8-propan-2-yldodecane-4,5-diol
SMILESCCCC(O)C(C)(O)CCC(CCC(C)C)C(C)C
InChIInChI=1S/C17H36O2/c1-7-8-16(18)17(6,19)12-11-15(14(4)5)10-9-13(2)3/h13-16,18-19H,7-12H2,1-6H3
InChIKeyNLJGVMJNTHJTTJ-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 249494
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3,9-Diethyl-6-tridecanol
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3-Methylcyclopentadecan-1-ol
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(1R,2S,3R,5R)-5-propan-2-ylcycloheptane-1,2,3-triol
CID 56835768
Oxiranemethanol, 3-methyl-3-(4,8,12-trimethyltridecyl)-
CID 10990611
(2S,3S,7S)-3,7-Dimethylpentadecan-2-ol
CID 11010601
11-Methyl-1,2-heptadecanediol
CID 42607318
13-Methylnonadecane-1,2-diol
CID 42607320
13-Methyl-1,2-eicosanediol
CID 42607321
15-Methyl-1,2-eicosanediol
CID 42607322

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol?
The IUPAC name of 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol (CID 176507268) is 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol.
What is the SMILES notation for 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol?
The canonical SMILES for 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol is CCCC(O)C(C)(O)CCC(CCC(C)C)C(C)C.
What is the InChIKey of 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol?
The InChIKey is NLJGVMJNTHJTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-7-8-16(18)17(6,19)12-11-15(14(4)5)10-9-13(2)3/h13-16,18-19H,7-12H2,1-6H3.
What are the key properties of 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol?
5,11-dimethyl-8-propan-2-yldodecane-4,5-diol has a molecular weight of 272.47 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-8-propan-2-yldodecane-4,5-diol is sourced from PubChem (CID 176507268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).