(2R,3R)-2-ethenylundecane-1,3-diol

C13H26O2 — CID 14107347

IUPAC(2R,3R)-2-ethenylundecane-1,3-diol
SMILESC=C[C@H](CO)[C@H](O)CCCCCCCC
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-13(15)12(4-2)11-14/h4,12-15H,2-3,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyPVCIQNSVRIKJAP-CHWSQXEVSA-N
MW214.35 g/mol
LogP2.89
Rot. Bonds10

About (2R,3R)-2-ethenylundecane-1,3-diol

(2R,3R)-2-ethenylundecane-1,3-diol (PubChem CID 14107347) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R,3R)-2-ethenylundecane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-ethenylundecane-1,3-diol
PubChem CID14107347
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(2R,3R)-2-ethenylundecane-1,3-diol
SMILESC=C[C@H](CO)[C@H](O)CCCCCCCC
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-13(15)12(4-2)11-14/h4,12-15H,2-3,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyPVCIQNSVRIKJAP-CHWSQXEVSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R)-2-ethenylundecane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-25-methyltritriacont-21-ene-1,9,11-triol
CID 131753012
7-Methyl-3-methylene-1-octanol
CID 22764431
3-Methyloct-7-en-2-ol
CID 10351801
2,10-Dimethyl-6-methylene-1,4-dodecanediol
CID 131753009
3-Methylundec-1-en-4-ol
CID 12794264
1-Tridecen-4-ol
CID 10397999
4-Hydroxytetradec-1-ene
CID 11009268
1-Dodecen-4-ol
CID 11745312
2-Methylundec-10-en-1-ol
CID 54359742
(S)-1-Undecen-4-ol
CID 11378750
7-Octen-3-ol, 2,6-dimethyl-
CID 565253
Undec-1-en-4-ol
CID 10103696

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethenylundecane-1,3-diol?
The IUPAC name of (2R,3R)-2-ethenylundecane-1,3-diol (CID 14107347) is (2R,3R)-2-ethenylundecane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-ethenylundecane-1,3-diol?
The canonical SMILES for (2R,3R)-2-ethenylundecane-1,3-diol is C=C[C@H](CO)[C@H](O)CCCCCCCC.
What is the InChIKey of (2R,3R)-2-ethenylundecane-1,3-diol?
The InChIKey is PVCIQNSVRIKJAP-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-13(15)12(4-2)11-14/h4,12-15H,2-3,5-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-ethenylundecane-1,3-diol?
(2R,3R)-2-ethenylundecane-1,3-diol has a molecular weight of 214.35 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethenylundecane-1,3-diol is sourced from PubChem (CID 14107347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).