(2R,3R)-2-tert-butylbutane-1,3-diol

C8H18O2 — CID 130875364

IUPAC(2R,3R)-2-tert-butylbutane-1,3-diol
SMILESC[C@@H](O)[C@@H](CO)C(C)(C)C
InChIInChI=1S/C8H18O2/c1-6(10)7(5-9)8(2,3)4/h6-7,9-10H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeySVDQILCKOOAUCM-RNFRBKRXSA-N
MW146.23 g/mol
LogP1.02
Rot. Bonds2

About (2R,3R)-2-tert-butylbutane-1,3-diol

(2R,3R)-2-tert-butylbutane-1,3-diol (PubChem CID 130875364) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (2R,3R)-2-tert-butylbutane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-tert-butylbutane-1,3-diol
PubChem CID130875364
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(2R,3R)-2-tert-butylbutane-1,3-diol
SMILESC[C@@H](O)[C@@H](CO)C(C)(C)C
InChIInChI=1S/C8H18O2/c1-6(10)7(5-9)8(2,3)4/h6-7,9-10H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeySVDQILCKOOAUCM-RNFRBKRXSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpentane-1,4-diol
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(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol
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2-tert-butyloctadecane-1,3-diol
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2,2-dimethylpropane;2-methylpropan-1-ol
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CID 174460247
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
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propane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-tert-butylbutane-1,3-diol?
The IUPAC name of (2R,3R)-2-tert-butylbutane-1,3-diol (CID 130875364) is (2R,3R)-2-tert-butylbutane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-tert-butylbutane-1,3-diol?
The canonical SMILES for (2R,3R)-2-tert-butylbutane-1,3-diol is C[C@@H](O)[C@@H](CO)C(C)(C)C.
What is the InChIKey of (2R,3R)-2-tert-butylbutane-1,3-diol?
The InChIKey is SVDQILCKOOAUCM-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H18O2/c1-6(10)7(5-9)8(2,3)4/h6-7,9-10H,5H2,1-4H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2-tert-butylbutane-1,3-diol?
(2R,3R)-2-tert-butylbutane-1,3-diol has a molecular weight of 146.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-tert-butylbutane-1,3-diol is sourced from PubChem (CID 130875364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).