2-methyl-2-propan-2-ylbutane-1,3-diol

C8H18O2 — CID 12660971

IUPAC2-methyl-2-propan-2-ylbutane-1,3-diol
SMILESCC(C)C(C)(CO)C(C)O
InChIInChI=1S/C8H18O2/c1-6(2)8(4,5-9)7(3)10/h6-7,9-10H,5H2,1-4H3
InChIKeyHIUWFVLFQYSGME-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.02
Rot. Bonds3

About 2-methyl-2-propan-2-ylbutane-1,3-diol

2-methyl-2-propan-2-ylbutane-1,3-diol (PubChem CID 12660971) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylbutane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylbutane-1,3-diol
PubChem CID12660971
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-methyl-2-propan-2-ylbutane-1,3-diol
SMILESCC(C)C(C)(CO)C(C)O
InChIInChI=1S/C8H18O2/c1-6(2)8(4,5-9)7(3)10/h6-7,9-10H,5H2,1-4H3
InChIKeyHIUWFVLFQYSGME-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

(3R)-3-methyl-3-propan-2-ylheptan-2-ol
CID 126716836
2,2-dimethylbutane-1,3-diol;methane
CID 158054850
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
CID 161162971
3-ethyl-3-methyloctane-2,4-diol
CID 57198922
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
(2,3-dimethylbutan-2-ylamino)methanol
CID 54319920
3,3-dimethylpentane-1,4-diol
CID 12931500
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240
2-methyl-2-propan-2-ylbutane-1,4-diol
CID 54159486
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
2,3-dimethyl-2-propan-2-ylbutane-1-thiol
CID 123246833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylbutane-1,3-diol?
The IUPAC name of 2-methyl-2-propan-2-ylbutane-1,3-diol (CID 12660971) is 2-methyl-2-propan-2-ylbutane-1,3-diol.
What is the SMILES notation for 2-methyl-2-propan-2-ylbutane-1,3-diol?
The canonical SMILES for 2-methyl-2-propan-2-ylbutane-1,3-diol is CC(C)C(C)(CO)C(C)O.
What is the InChIKey of 2-methyl-2-propan-2-ylbutane-1,3-diol?
The InChIKey is HIUWFVLFQYSGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-6(2)8(4,5-9)7(3)10/h6-7,9-10H,5H2,1-4H3.
What are the key properties of 2-methyl-2-propan-2-ylbutane-1,3-diol?
2-methyl-2-propan-2-ylbutane-1,3-diol has a molecular weight of 146.23 g/mol, XLogP of 1.02, 3 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-1,3-diol is sourced from PubChem (CID 12660971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).