pentadecane-4,5-diol

C15H32O2 — CID 103454846

IUPACpentadecane-4,5-diol
SMILESCCCCCCCCCCC(O)C(O)CCC
InChIInChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-13-15(17)14(16)12-4-2/h14-17H,3-13H2,1-2H3
InChIKeyJLWXQBAKZYPAND-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.04
Rot. Bonds12

About pentadecane-4,5-diol

pentadecane-4,5-diol (PubChem CID 103454846) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is pentadecane-4,5-diol.

Molecular Properties

Compound Namepentadecane-4,5-diol
PubChem CID103454846
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Namepentadecane-4,5-diol
SMILESCCCCCCCCCCC(O)C(O)CCC
InChIInChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-13-15(17)14(16)12-4-2/h14-17H,3-13H2,1-2H3
InChIKeyJLWXQBAKZYPAND-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.04
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

nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492
16-methylheptadecane-7,8-diol
CID 118508542
heptadecane-2,5,6-triol
CID 90443080
icosane-2,5,6-triol
CID 90443113
1-fluoropentadecane-3,4-diol
CID 174316140
4-methyltetradecan-5-ol
CID 65149403
nonane-1,5,6-triol
CID 174941867
(2R,3S)-dodecane-2,3-diol
CID 163394646
(7R,8S,10S)-nonacosane-7,8,10-triol
CID 163189131

Frequently Asked Questions

What is the IUPAC name of pentadecane-4,5-diol?
The IUPAC name of pentadecane-4,5-diol (CID 103454846) is pentadecane-4,5-diol.
What is the SMILES notation for pentadecane-4,5-diol?
The canonical SMILES for pentadecane-4,5-diol is CCCCCCCCCCC(O)C(O)CCC.
What is the InChIKey of pentadecane-4,5-diol?
The InChIKey is JLWXQBAKZYPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-13-15(17)14(16)12-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of pentadecane-4,5-diol?
pentadecane-4,5-diol has a molecular weight of 244.42 g/mol, XLogP of 4.04, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecane-4,5-diol is sourced from PubChem (CID 103454846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).