2-methyl-2-propan-2-ylbutane-1,4-diol

C8H18O2 — CID 54159486

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

About 2-methyl-2-propan-2-ylbutane-1,4-diol

2-methyl-2-propan-2-ylbutane-1,4-diol (PubChem CID 54159486) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylbutane-1,4-diol.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylbutane-1,4-diol
PubChem CID54159486
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-methyl-2-propan-2-ylbutane-1,4-diol
SMILESCC(C)C(C)(CO)CCO
InChIInChI=1S/C8H18O2/c1-7(2)8(3,6-10)4-5-9/h7,9-10H,4-6H2,1-3H3
InChIKeyONKWQHDQGCUIEB-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

(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
CID 174859457
4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol
CID 170599383
2-methylbutane-1,2,4-triol;2-methylpropane-1,1,1-triol
CID 162004448
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
4-methylpentane-1,3,3-triol
CID 89013357
3-methylbutane-1,3-diol;octakis(propan-2-ol)
CID 173348529
3,3-dimethylpentane-1,4-diol
CID 12931500
2,4-dimethyl-2-propylpentane-1,3-diol
CID 19375233
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682
2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol
CID 106931310
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
2-(hydroxymethyl)-2,3,3-trimethylpentane-1,5-diol
CID 175377190

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylbutane-1,4-diol?
The IUPAC name of 2-methyl-2-propan-2-ylbutane-1,4-diol (CID 54159486) is 2-methyl-2-propan-2-ylbutane-1,4-diol.
What is the SMILES notation for 2-methyl-2-propan-2-ylbutane-1,4-diol?
The canonical SMILES for 2-methyl-2-propan-2-ylbutane-1,4-diol is CC(C)C(C)(CO)CCO.
What is the InChIKey of 2-methyl-2-propan-2-ylbutane-1,4-diol?
The InChIKey is ONKWQHDQGCUIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(2)8(3,6-10)4-5-9/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-ylbutane-1,4-diol?
2-methyl-2-propan-2-ylbutane-1,4-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-methyl-2-propan-2-ylbutane-1,4-diol is sourced from PubChem (CID 54159486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).