tetradecane-1,11-diol

C14H30O2 — CID 11390599

IUPACtetradecane-1,11-diol
SMILESCCCC(O)CCCCCCCCCCO
InChIInChI=1S/C14H30O2/c1-2-11-14(16)12-9-7-5-3-4-6-8-10-13-15/h14-16H,2-13H2,1H3
InChIKeyCUWZNAUFAJVBCT-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.65
Rot. Bonds12

About tetradecane-1,11-diol

tetradecane-1,11-diol (PubChem CID 11390599) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is tetradecane-1,11-diol.

Molecular Properties

Compound Nametetradecane-1,11-diol
PubChem CID11390599
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Nametetradecane-1,11-diol
SMILESCCCC(O)CCCCCCCCCCO
InChIInChI=1S/C14H30O2/c1-2-11-14(16)12-9-7-5-3-4-6-8-10-13-15/h14-16H,2-13H2,1H3
InChIKeyCUWZNAUFAJVBCT-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.65
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

heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
icosane-1,9-diol
CID 22758044
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922
icosane-1,11-diol
CID 56976881
(9R)-octadecane-1,9-diol
CID 10968142
(5R,7S)-decane-1,5,7-triol
CID 15527708
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100

Frequently Asked Questions

What is the IUPAC name of tetradecane-1,11-diol?
The IUPAC name of tetradecane-1,11-diol (CID 11390599) is tetradecane-1,11-diol.
What is the SMILES notation for tetradecane-1,11-diol?
The canonical SMILES for tetradecane-1,11-diol is CCCC(O)CCCCCCCCCCO.
What is the InChIKey of tetradecane-1,11-diol?
The InChIKey is CUWZNAUFAJVBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-2-11-14(16)12-9-7-5-3-4-6-8-10-13-15/h14-16H,2-13H2,1H3.
What are the key properties of tetradecane-1,11-diol?
tetradecane-1,11-diol has a molecular weight of 230.39 g/mol, XLogP of 3.65, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecane-1,11-diol is sourced from PubChem (CID 11390599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).