(3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol

C13H24O2 — CID 53350123

IUPAC(3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol
SMILESCC[C@H](O)/C=C/[C@](C)(O)CCC=C(C)C
InChIInChI=1S/C13H24O2/c1-5-12(14)8-10-13(4,15)9-6-7-11(2)3/h7-8,10,12,14-15H,5-6,9H2,1-4H3/b10-8+/t12-,13+/m0/s1
InChIKeyWRNNZDSSIMNBCU-GCTWYKEXSA-N
MW212.33 g/mol
LogP2.81
Rot. Bonds6

About (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol

(3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol (PubChem CID 53350123) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol.

Molecular Properties

Compound Name(3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol
PubChem CID53350123
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol
SMILESCC[C@H](O)/C=C/[C@](C)(O)CCC=C(C)C
InChIInChI=1S/C13H24O2/c1-5-12(14)8-10-13(4,15)9-6-7-11(2)3/h7-8,10,12,14-15H,5-6,9H2,1-4H3/b10-8+/t12-,13+/m0/s1
InChIKeyWRNNZDSSIMNBCU-GCTWYKEXSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol?
The IUPAC name of (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol (CID 53350123) is (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol.
What is the SMILES notation for (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol?
The canonical SMILES for (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol is CC[C@H](O)/C=C/[C@](C)(O)CCC=C(C)C.
What is the InChIKey of (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol?
The InChIKey is WRNNZDSSIMNBCU-GCTWYKEXSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-12(14)8-10-13(4,15)9-6-7-11(2)3/h7-8,10,12,14-15H,5-6,9H2,1-4H3/b10-8+/t12-,13+/m0/s1.
What are the key properties of (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol?
(3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol has a molecular weight of 212.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E,6R)-6,10-dimethylundeca-4,9-diene-3,6-diol is sourced from PubChem (CID 53350123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).