3-ethyl-3-methylpentane;methanol

C9H22O — CID 143799596

IUPAC3-ethyl-3-methylpentane;methanol
SMILESCCC(C)(CC)CC.CO
InChIInChI=1S/C8H18.CH4O/c1-5-8(4,6-2)7-3;1-2/h5-7H2,1-4H3;2H,1H3
InChIKeyAABUKLZLCNQXAH-UHFFFAOYSA-N
MW146.27 g/mol
LogP2.83
Rot. Bonds3

About 3-ethyl-3-methylpentane;methanol

3-ethyl-3-methylpentane;methanol (PubChem CID 143799596) has the molecular formula C9H22O and a molecular weight of 146.27 g/mol. Its IUPAC name is 3-ethyl-3-methylpentane;methanol.

Molecular Properties

Compound Name3-ethyl-3-methylpentane;methanol
PubChem CID143799596
Molecular FormulaC9H22O
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Name3-ethyl-3-methylpentane;methanol
SMILESCCC(C)(CC)CC.CO
InChIInChI=1S/C8H18.CH4O/c1-5-8(4,6-2)7-3;1-2/h5-7H2,1-4H3;2H,1H3
InChIKeyAABUKLZLCNQXAH-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethyl-3-methylpentane
CID 158904304
2-chloro-2-methylbutane;methanol
CID 88619841
3,3-dimethylpentane;ethane;methanol
CID 144527462
3-ethyl-3-methylpentane-1,1-diol
CID 23586221
CID 20601392
CID 20601392
(2S)-2-ethyl-2-methylbutane-1,4-diol
CID 89138945
ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine
CID 144515600
5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
2,11-diethyl-2,11-dimethyldodecane-1,12-diol
CID 3069683
acetic acid;2-ethyl-2-methylpropane-1,3-diol
CID 71375567
ethane;3-ethyl-3-methylpentane;methane;1,4-xylene
CID 158034603

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylpentane;methanol?
The IUPAC name of 3-ethyl-3-methylpentane;methanol (CID 143799596) is 3-ethyl-3-methylpentane;methanol.
What is the SMILES notation for 3-ethyl-3-methylpentane;methanol?
The canonical SMILES for 3-ethyl-3-methylpentane;methanol is CCC(C)(CC)CC.CO.
What is the InChIKey of 3-ethyl-3-methylpentane;methanol?
The InChIKey is AABUKLZLCNQXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.CH4O/c1-5-8(4,6-2)7-3;1-2/h5-7H2,1-4H3;2H,1H3.
What are the key properties of 3-ethyl-3-methylpentane;methanol?
3-ethyl-3-methylpentane;methanol has a molecular weight of 146.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylpentane;methanol is sourced from PubChem (CID 143799596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).