(2R,3S)-3,4,4-trimethylpentan-2-ol

C8H18O — CID 58403064

IUPAC(2R,3S)-3,4,4-trimethylpentan-2-ol
SMILESC[C@H]([C@@H](C)O)C(C)(C)C
InChIInChI=1S/C8H18O/c1-6(7(2)9)8(3,4)5/h6-7,9H,1-5H3/t6-,7-/m1/s1
InChIKeyMXDGSCZQIMQLII-RNFRBKRXSA-N
MW130.23 g/mol
LogP2.05
Rot. Bonds1

About (2R,3S)-3,4,4-trimethylpentan-2-ol

(2R,3S)-3,4,4-trimethylpentan-2-ol (PubChem CID 58403064) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (2R,3S)-3,4,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3,4,4-trimethylpentan-2-ol
PubChem CID58403064
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(2R,3S)-3,4,4-trimethylpentan-2-ol
SMILESC[C@H]([C@@H](C)O)C(C)(C)C
InChIInChI=1S/C8H18O/c1-6(7(2)9)8(3,4)5/h6-7,9H,1-5H3/t6-,7-/m1/s1
InChIKeyMXDGSCZQIMQLII-RNFRBKRXSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,4,4-trimethylpentan-2-ol?
The IUPAC name of (2R,3S)-3,4,4-trimethylpentan-2-ol (CID 58403064) is (2R,3S)-3,4,4-trimethylpentan-2-ol.
What is the SMILES notation for (2R,3S)-3,4,4-trimethylpentan-2-ol?
The canonical SMILES for (2R,3S)-3,4,4-trimethylpentan-2-ol is C[C@H]([C@@H](C)O)C(C)(C)C.
What is the InChIKey of (2R,3S)-3,4,4-trimethylpentan-2-ol?
The InChIKey is MXDGSCZQIMQLII-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H18O/c1-6(7(2)9)8(3,4)5/h6-7,9H,1-5H3/t6-,7-/m1/s1.
What are the key properties of (2R,3S)-3,4,4-trimethylpentan-2-ol?
(2R,3S)-3,4,4-trimethylpentan-2-ol has a molecular weight of 130.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,4,4-trimethylpentan-2-ol is sourced from PubChem (CID 58403064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).