(10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol

C17H34O2 — CID 164669241

IUPAC(10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol
SMILESC=C[C@H](CC(C)C)[C@H](O)CCCCCCCCCO
InChIInChI=1S/C17H34O2/c1-4-16(14-15(2)3)17(19)12-10-8-6-5-7-9-11-13-18/h4,15-19H,1,5-14H2,2-3H3/t16-,17-/m1/s1
InChIKeyJPJWWEKYVRSAME-IAGOWNOFSA-N
MW270.46 g/mol
LogP4.31
Rot. Bonds13

About (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol

(10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol (PubChem CID 164669241) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol.

Molecular Properties

Compound Name(10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol
PubChem CID164669241
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name(10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol
SMILESC=C[C@H](CC(C)C)[C@H](O)CCCCCCCCCO
InChIInChI=1S/C17H34O2/c1-4-16(14-15(2)3)17(19)12-10-8-6-5-7-9-11-13-18/h4,15-19H,1,5-14H2,2-3H3/t16-,17-/m1/s1
InChIKeyJPJWWEKYVRSAME-IAGOWNOFSA-N
XLogP4.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.31
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'}

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Frequently Asked Questions

What is the IUPAC name of (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol?
The IUPAC name of (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol (CID 164669241) is (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol.
What is the SMILES notation for (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol?
The canonical SMILES for (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol is C=C[C@H](CC(C)C)[C@H](O)CCCCCCCCCO.
What is the InChIKey of (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol?
The InChIKey is JPJWWEKYVRSAME-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-16(14-15(2)3)17(19)12-10-8-6-5-7-9-11-13-18/h4,15-19H,1,5-14H2,2-3H3/t16-,17-/m1/s1.
What are the key properties of (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol?
(10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol has a molecular weight of 270.46 g/mol, XLogP of 4.31, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol is sourced from PubChem (CID 164669241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).