2,2,3-trimethylpentane-1,5-diol

C8H18O2 — CID 57197180

IUPAC2,2,3-trimethylpentane-1,5-diol
SMILESCC(CCO)C(C)(C)CO
InChIInChI=1S/C8H18O2/c1-7(4-5-9)8(2,3)6-10/h7,9-10H,4-6H2,1-3H3
InChIKeyMOCGNGXMQZVBFM-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.02
Rot. Bonds4

About 2,2,3-trimethylpentane-1,5-diol

2,2,3-trimethylpentane-1,5-diol (PubChem CID 57197180) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2,2,3-trimethylpentane-1,5-diol.

Molecular Properties

Compound Name2,2,3-trimethylpentane-1,5-diol
PubChem CID57197180
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2,2,3-trimethylpentane-1,5-diol
SMILESCC(CCO)C(C)(C)CO
InChIInChI=1S/C8H18O2/c1-7(4-5-9)8(2,3)6-10/h7,9-10H,4-6H2,1-3H3
InChIKeyMOCGNGXMQZVBFM-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2,2,3,6,6-pentamethylheptan-1-ol
CID 91591586
(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131
(3R)-4-amino-3,4-dimethylpentan-1-ol
CID 97030968
(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol
CID 159142571
4-ethyl-4-(4-hydroxybutan-2-yl)-3,5-dimethylheptane-1,7-diol
CID 18724695
2,2-dimethylbutane-1,3-diol;methane
CID 158054850
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);2,2,3-trimethylbutanoic acid
CID 159916720
4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol
CID 123311590
2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
3,4-ditert-butylhexane-1,6-diol
CID 174460247
4,4,5-trimethylhexane-1,3-diol
CID 162719474

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylpentane-1,5-diol?
The IUPAC name of 2,2,3-trimethylpentane-1,5-diol (CID 57197180) is 2,2,3-trimethylpentane-1,5-diol.
What is the SMILES notation for 2,2,3-trimethylpentane-1,5-diol?
The canonical SMILES for 2,2,3-trimethylpentane-1,5-diol is CC(CCO)C(C)(C)CO.
What is the InChIKey of 2,2,3-trimethylpentane-1,5-diol?
The InChIKey is MOCGNGXMQZVBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(4-5-9)8(2,3)6-10/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2,2,3-trimethylpentane-1,5-diol?
2,2,3-trimethylpentane-1,5-diol has a molecular weight of 146.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylpentane-1,5-diol is sourced from PubChem (CID 57197180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).