8,8-dipropylundecane-1,1-diol

C17H36O2 — CID 156789046

IUPAC8,8-dipropylundecane-1,1-diol
SMILESCCCC(CCC)(CCC)CCCCCCC(O)O
InChIInChI=1S/C17H36O2/c1-4-12-17(13-5-2,14-6-3)15-10-8-7-9-11-16(18)19/h16,18-19H,4-15H2,1-3H3
InChIKeyJHBULYJTZLKTOD-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.02
Rot. Bonds13

About 8,8-dipropylundecane-1,1-diol

8,8-dipropylundecane-1,1-diol (PubChem CID 156789046) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 8,8-dipropylundecane-1,1-diol.

Molecular Properties

Compound Name8,8-dipropylundecane-1,1-diol
PubChem CID156789046
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name8,8-dipropylundecane-1,1-diol
SMILESCCCC(CCC)(CCC)CCCCCCC(O)O
InChIInChI=1S/C17H36O2/c1-4-12-17(13-5-2,14-6-3)15-10-8-7-9-11-16(18)19/h16,18-19H,4-15H2,1-3H3
InChIKeyJHBULYJTZLKTOD-UHFFFAOYSA-N
XLogP5.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4,9,9-tetrapropyldodecane
CID 140610407
decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
11-decyldodecane-1,1,11,12-tetrol
CID 91079492
dodecane-1,1-diol;dihydrochloride
CID 87128887
CID 172691644
CID 172691644
octane-1,1,8,8-tetrol
CID 88519685
1,1,1-trifluoro-11,11-dipropyltetradecane
CID 160800982
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
methoxymethane;tridecane-1,1-diol
CID 18004105

Frequently Asked Questions

What is the IUPAC name of 8,8-dipropylundecane-1,1-diol?
The IUPAC name of 8,8-dipropylundecane-1,1-diol (CID 156789046) is 8,8-dipropylundecane-1,1-diol.
What is the SMILES notation for 8,8-dipropylundecane-1,1-diol?
The canonical SMILES for 8,8-dipropylundecane-1,1-diol is CCCC(CCC)(CCC)CCCCCCC(O)O.
What is the InChIKey of 8,8-dipropylundecane-1,1-diol?
The InChIKey is JHBULYJTZLKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-4-12-17(13-5-2,14-6-3)15-10-8-7-9-11-16(18)19/h16,18-19H,4-15H2,1-3H3.
What are the key properties of 8,8-dipropylundecane-1,1-diol?
8,8-dipropylundecane-1,1-diol has a molecular weight of 272.47 g/mol, XLogP of 5.02, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dipropylundecane-1,1-diol is sourced from PubChem (CID 156789046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).