6-methyl-6-pentylundecane-1,11-diol

C17H36O2 — CID 87660447

IUPAC6-methyl-6-pentylundecane-1,11-diol
SMILESCCCCCC(C)(CCCCCO)CCCCCO
InChIInChI=1S/C17H36O2/c1-3-4-7-12-17(2,13-8-5-10-15-18)14-9-6-11-16-19/h18-19H,3-16H2,1-2H3
InChIKeyVYEAPKRXAZIYJX-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.68
Rot. Bonds14

About 6-methyl-6-pentylundecane-1,11-diol

6-methyl-6-pentylundecane-1,11-diol (PubChem CID 87660447) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 6-methyl-6-pentylundecane-1,11-diol.

Molecular Properties

Compound Name6-methyl-6-pentylundecane-1,11-diol
PubChem CID87660447
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name6-methyl-6-pentylundecane-1,11-diol
SMILESCCCCCC(C)(CCCCCO)CCCCCO
InChIInChI=1S/C17H36O2/c1-3-4-7-12-17(2,13-8-5-10-15-18)14-9-6-11-16-19/h18-19H,3-16H2,1-2H3
InChIKeyVYEAPKRXAZIYJX-UHFFFAOYSA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.68
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

4-methyl-4-octyldodecan-1-ol
CID 87375187
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
7,7-dimethyldocosan-1-ol
CID 150860437
5-butyl-5-methylpentadecane
CID 174700907
2-methyl-2-pentylnonan-1-ol
CID 138503898
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
calcium;dodecan-1-ol;hydride
CID 173099575
calcium;hydride;undecan-1-ol
CID 174734394
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-pentylundecane-1,11-diol?
The IUPAC name of 6-methyl-6-pentylundecane-1,11-diol (CID 87660447) is 6-methyl-6-pentylundecane-1,11-diol.
What is the SMILES notation for 6-methyl-6-pentylundecane-1,11-diol?
The canonical SMILES for 6-methyl-6-pentylundecane-1,11-diol is CCCCCC(C)(CCCCCO)CCCCCO.
What is the InChIKey of 6-methyl-6-pentylundecane-1,11-diol?
The InChIKey is VYEAPKRXAZIYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-3-4-7-12-17(2,13-8-5-10-15-18)14-9-6-11-16-19/h18-19H,3-16H2,1-2H3.
What are the key properties of 6-methyl-6-pentylundecane-1,11-diol?
6-methyl-6-pentylundecane-1,11-diol has a molecular weight of 272.47 g/mol, XLogP of 4.68, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-pentylundecane-1,11-diol is sourced from PubChem (CID 87660447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).