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

C8H18O — CID 6999610

IUPAC(3S)-2,2,3-trimethylpentan-3-ol
SMILESCC[C@](C)(O)C(C)(C)C
InChIInChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3/t8-/m0/s1
InChIKeyKLIHWYNSISMOMR-QMMMGPOBSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds1

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

(3S)-2,2,3-trimethylpentan-3-ol (PubChem CID 6999610) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (3S)-2,2,3-trimethylpentan-3-ol.

Molecular Properties

Compound Name(3S)-2,2,3-trimethylpentan-3-ol
PubChem CID6999610
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(3S)-2,2,3-trimethylpentan-3-ol
SMILESCC[C@](C)(O)C(C)(C)C
InChIInChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3/t8-/m0/s1
InChIKeyKLIHWYNSISMOMR-QMMMGPOBSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2,3-trimethylpentan-3-ol?
The IUPAC name of (3S)-2,2,3-trimethylpentan-3-ol (CID 6999610) is (3S)-2,2,3-trimethylpentan-3-ol.
What is the SMILES notation for (3S)-2,2,3-trimethylpentan-3-ol?
The canonical SMILES for (3S)-2,2,3-trimethylpentan-3-ol is CC[C@](C)(O)C(C)(C)C.
What is the InChIKey of (3S)-2,2,3-trimethylpentan-3-ol?
The InChIKey is KLIHWYNSISMOMR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-2,2,3-trimethylpentan-3-ol?
(3S)-2,2,3-trimethylpentan-3-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2,3-trimethylpentan-3-ol is sourced from PubChem (CID 6999610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).