2-(hydroxymethyl)nonadecane-1,19-diol

C20H42O3 — CID 18361656

IUPAC2-(hydroxymethyl)nonadecane-1,19-diol
SMILESOCCCCCCCCCCCCCCCCCC(CO)CO
InChIInChI=1S/C20H42O3/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20(18-22)19-23/h20-23H,1-19H2
InChIKeyMOKYZZYAZIRZCE-UHFFFAOYSA-N
MW330.55 g/mol
LogP4.82
Rot. Bonds19

About 2-(hydroxymethyl)nonadecane-1,19-diol

2-(hydroxymethyl)nonadecane-1,19-diol (PubChem CID 18361656) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is 2-(hydroxymethyl)nonadecane-1,19-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)nonadecane-1,19-diol
PubChem CID18361656
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Name2-(hydroxymethyl)nonadecane-1,19-diol
SMILESOCCCCCCCCCCCCCCCCCC(CO)CO
InChIInChI=1S/C20H42O3/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20(18-22)19-23/h20-23H,1-19H2
InChIKeyMOKYZZYAZIRZCE-UHFFFAOYSA-N
XLogP4.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-pentadecylpropane-1,3-diol
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11-octylicosan-1-ol
CID 162349984
5-decylheptadecan-1-ol
CID 171774120
(3S)-3-ethyloctane-1,8-diol
CID 118889766
2-(5,5-dichloropentyl)propane-1,3-diol
CID 18674567
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CID 87858570
9-(2-hydroxyethyl)hexadecane-1,1,16-triol
CID 87737483
acetic acid;2-ethylhexane-1,6-diol
CID 175223749

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)nonadecane-1,19-diol?
The IUPAC name of 2-(hydroxymethyl)nonadecane-1,19-diol (CID 18361656) is 2-(hydroxymethyl)nonadecane-1,19-diol.
What is the SMILES notation for 2-(hydroxymethyl)nonadecane-1,19-diol?
The canonical SMILES for 2-(hydroxymethyl)nonadecane-1,19-diol is OCCCCCCCCCCCCCCCCCC(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)nonadecane-1,19-diol?
The InChIKey is MOKYZZYAZIRZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20(18-22)19-23/h20-23H,1-19H2.
What are the key properties of 2-(hydroxymethyl)nonadecane-1,19-diol?
2-(hydroxymethyl)nonadecane-1,19-diol has a molecular weight of 330.55 g/mol, XLogP of 4.82, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)nonadecane-1,19-diol is sourced from PubChem (CID 18361656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).