2,2,4,4-tetramethylpentane-3,3-diol

C9H20O2 — CID 15388293

IUPAC2,2,4,4-tetramethylpentane-3,3-diol
SMILESCC(C)(C)C(O)(O)C(C)(C)C
InChIInChI=1S/C9H20O2/c1-7(2,3)9(10,11)8(4,5)6/h10-11H,1-6H3
InChIKeyFOUWNXYPJKWKAC-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.76
Rot. Bonds

About 2,2,4,4-tetramethylpentane-3,3-diol

2,2,4,4-tetramethylpentane-3,3-diol (PubChem CID 15388293) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentane-3,3-diol.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentane-3,3-diol
PubChem CID15388293
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2,2,4,4-tetramethylpentane-3,3-diol
SMILESCC(C)(C)C(O)(O)C(C)(C)C
InChIInChI=1S/C9H20O2/c1-7(2,3)9(10,11)8(4,5)6/h10-11H,1-6H3
InChIKeyFOUWNXYPJKWKAC-UHFFFAOYSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4,6,6-hexamethylheptane-3,3-diol
CID 19375236
bis(2,3,3-trimethylbutan-2-ol);hydrate
CID 71347639
methane;2-methylpropan-2-ol
CID 157161859
ethane-1,1,1-triol;hydrochloride
CID 21272946
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;neodymium
CID 154348927
gallane;tris(2-methylpropan-2-ol)
CID 175569744
lithium 2-methylpropan-2-ol
CID 21120036
alumane;2-methylpropan-2-ol;hydrochloride
CID 174748525
2,3-dimethylbutane-2,3-diol;hydrobromide
CID 175354079

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentane-3,3-diol?
The IUPAC name of 2,2,4,4-tetramethylpentane-3,3-diol (CID 15388293) is 2,2,4,4-tetramethylpentane-3,3-diol.
What is the SMILES notation for 2,2,4,4-tetramethylpentane-3,3-diol?
The canonical SMILES for 2,2,4,4-tetramethylpentane-3,3-diol is CC(C)(C)C(O)(O)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethylpentane-3,3-diol?
The InChIKey is FOUWNXYPJKWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-7(2,3)9(10,11)8(4,5)6/h10-11H,1-6H3.
What are the key properties of 2,2,4,4-tetramethylpentane-3,3-diol?
2,2,4,4-tetramethylpentane-3,3-diol has a molecular weight of 160.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentane-3,3-diol is sourced from PubChem (CID 15388293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).