3,3-dimethylbutan-1-ol;ethane

C8H20O — CID 155708762

IUPAC3,3-dimethylbutan-1-ol;ethane
SMILESCC.CC(C)(C)CCO
InChIInChI=1S/C6H14O.C2H6/c1-6(2,3)4-5-7;1-2/h7H,4-5H2,1-3H3;1-2H3
InChIKeyIOSKKDUFCFRHON-UHFFFAOYSA-N
MW132.25 g/mol
LogP2.44
Rot. Bonds1

About 3,3-dimethylbutan-1-ol;ethane

3,3-dimethylbutan-1-ol;ethane (PubChem CID 155708762) has the molecular formula C8H20O and a molecular weight of 132.25 g/mol. Its IUPAC name is 3,3-dimethylbutan-1-ol;ethane.

Molecular Properties

Compound Name3,3-dimethylbutan-1-ol;ethane
PubChem CID155708762
Molecular FormulaC8H20O
Molecular Weight132.25 g/mol
Exact Mass132.15
IUPAC Name3,3-dimethylbutan-1-ol;ethane
SMILESCC.CC(C)(C)CCO
InChIInChI=1S/C6H14O.C2H6/c1-6(2,3)4-5-7;1-2/h7H,4-5H2,1-3H3;1-2H3
InChIKeyIOSKKDUFCFRHON-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
dichlorozirconium;3,3-dimethylbutan-1-ol;2,2-dimethylpentane;bis(2,2-dimethylpropane);ethanol
CID 160757315
3,3-dimethylbutanal;3,3-dimethylbutan-1-ol;molecular oxygen;hydrate
CID 161148236
ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399
3-methyl-3-methylbutan-1-ol
CID 23523624
3-amino-3-methylbutan-1-ol
CID 641000
carbonyl dichloride;3,3-dimethylbutan-1-ol;3,3-dimethylbutyl carbonochloridate
CID 158535901
3,3-diamino-5,5-dimethylhexan-1-ol
CID 140837864
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011
ethane;3-methyl-3-(methylamino)butan-1-ol;propane
CID 142331401
(4S)-1-bromo-4,6-dihydroxy-4-methylhexan-2-one
CID 14831813

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-1-ol;ethane?
The IUPAC name of 3,3-dimethylbutan-1-ol;ethane (CID 155708762) is 3,3-dimethylbutan-1-ol;ethane.
What is the SMILES notation for 3,3-dimethylbutan-1-ol;ethane?
The canonical SMILES for 3,3-dimethylbutan-1-ol;ethane is CC.CC(C)(C)CCO.
What is the InChIKey of 3,3-dimethylbutan-1-ol;ethane?
The InChIKey is IOSKKDUFCFRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C2H6/c1-6(2,3)4-5-7;1-2/h7H,4-5H2,1-3H3;1-2H3.
What are the key properties of 3,3-dimethylbutan-1-ol;ethane?
3,3-dimethylbutan-1-ol;ethane has a molecular weight of 132.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-1-ol;ethane is sourced from PubChem (CID 155708762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).