(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol

C10H22O2 — CID 10997549

IUPAC(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol
SMILESCC(C)(C)[C@@H](O)[C@H](O)C(C)(C)C
InChIInChI=1S/C10H22O2/c1-9(2,3)7(11)8(12)10(4,5)6/h7-8,11-12H,1-6H3/t7-,8-/m0/s1
InChIKeyAVZDCZIXVMGOQQ-YUMQZZPRSA-N
MW174.28 g/mol
LogP1.80
Rot. Bonds1

About (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol

(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol (PubChem CID 10997549) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol
PubChem CID10997549
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol
SMILESCC(C)(C)[C@@H](O)[C@H](O)C(C)(C)C
InChIInChI=1S/C10H22O2/c1-9(2,3)7(11)8(12)10(4,5)6/h7-8,11-12H,1-6H3/t7-,8-/m0/s1
InChIKeyAVZDCZIXVMGOQQ-YUMQZZPRSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol?
The IUPAC name of (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol (CID 10997549) is (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol.
What is the SMILES notation for (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol?
The canonical SMILES for (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol is CC(C)(C)[C@@H](O)[C@H](O)C(C)(C)C.
What is the InChIKey of (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol?
The InChIKey is AVZDCZIXVMGOQQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(2,3)7(11)8(12)10(4,5)6/h7-8,11-12H,1-6H3/t7-,8-/m0/s1.
What are the key properties of (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol?
(3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol has a molecular weight of 174.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2,5,5-tetramethylhexane-3,4-diol is sourced from PubChem (CID 10997549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).