(3R,9S)-6,6-dimethylundecane-3,9-diol

C13H28O2 — CID 89346944

IUPAC(3R,9S)-6,6-dimethylundecane-3,9-diol
SMILESCC[C@@H](O)CCC(C)(C)CC[C@@H](O)CC
InChIInChI=1S/C13H28O2/c1-5-11(14)7-9-13(3,4)10-8-12(15)6-2/h11-12,14-15H,5-10H2,1-4H3/t11-,12+
InChIKeyTTZPSCHAUUZWTQ-TXEJJXNPSA-N
MW216.36 g/mol
LogP3.11
Rot. Bonds8

About (3R,9S)-6,6-dimethylundecane-3,9-diol

(3R,9S)-6,6-dimethylundecane-3,9-diol (PubChem CID 89346944) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is (3R,9S)-6,6-dimethylundecane-3,9-diol.

Molecular Properties

Compound Name(3R,9S)-6,6-dimethylundecane-3,9-diol
PubChem CID89346944
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name(3R,9S)-6,6-dimethylundecane-3,9-diol
SMILESCC[C@@H](O)CCC(C)(C)CC[C@@H](O)CC
InChIInChI=1S/C13H28O2/c1-5-11(14)7-9-13(3,4)10-8-12(15)6-2/h11-12,14-15H,5-10H2,1-4H3/t11-,12+
InChIKeyTTZPSCHAUUZWTQ-TXEJJXNPSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,9S)-6,6-dimethylundecane-3,9-diol?
The IUPAC name of (3R,9S)-6,6-dimethylundecane-3,9-diol (CID 89346944) is (3R,9S)-6,6-dimethylundecane-3,9-diol.
What is the SMILES notation for (3R,9S)-6,6-dimethylundecane-3,9-diol?
The canonical SMILES for (3R,9S)-6,6-dimethylundecane-3,9-diol is CC[C@@H](O)CCC(C)(C)CC[C@@H](O)CC.
What is the InChIKey of (3R,9S)-6,6-dimethylundecane-3,9-diol?
The InChIKey is TTZPSCHAUUZWTQ-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-11(14)7-9-13(3,4)10-8-12(15)6-2/h11-12,14-15H,5-10H2,1-4H3/t11-,12+.
What are the key properties of (3R,9S)-6,6-dimethylundecane-3,9-diol?
(3R,9S)-6,6-dimethylundecane-3,9-diol has a molecular weight of 216.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9S)-6,6-dimethylundecane-3,9-diol is sourced from PubChem (CID 89346944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).