tridecane-1,5-diol

C13H28O2 — CID 15587437

IUPACtridecane-1,5-diol
SMILESCCCCCCCCC(O)CCCCO
InChIInChI=1S/C13H28O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14/h13-15H,2-12H2,1H3
InChIKeyGRGZJTVMTDNWPN-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.26
Rot. Bonds11

About tridecane-1,5-diol

tridecane-1,5-diol (PubChem CID 15587437) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is tridecane-1,5-diol.

Molecular Properties

Compound Nametridecane-1,5-diol
PubChem CID15587437
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Nametridecane-1,5-diol
SMILESCCCCCCCCC(O)CCCCO
InChIInChI=1S/C13H28O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14/h13-15H,2-12H2,1H3
InChIKeyGRGZJTVMTDNWPN-UHFFFAOYSA-N
XLogP3.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.26
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
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
(4S)-undecane-1,4-diol
CID 98092447
decane-1,10-diol;nonane-1,2-diol
CID 174889231
tetradecane-1,11-diol
CID 11390599
ethanol;nonacosan-10-ol
CID 87536381
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of tridecane-1,5-diol?
The IUPAC name of tridecane-1,5-diol (CID 15587437) is tridecane-1,5-diol.
What is the SMILES notation for tridecane-1,5-diol?
The canonical SMILES for tridecane-1,5-diol is CCCCCCCCC(O)CCCCO.
What is the InChIKey of tridecane-1,5-diol?
The InChIKey is GRGZJTVMTDNWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14/h13-15H,2-12H2,1H3.
What are the key properties of tridecane-1,5-diol?
tridecane-1,5-diol has a molecular weight of 216.36 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridecane-1,5-diol is sourced from PubChem (CID 15587437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).