3,3-dimethylpentane;ethane;methanol

C14H38O — CID 144527462

IUPAC3,3-dimethylpentane;ethane;methanol
SMILESCC.CC.CC.CCC(C)(C)CC.CO
InChIInChI=1S/C7H16.3C2H6.CH4O/c1-5-7(3,4)6-2;4*1-2/h5-6H2,1-4H3;3*1-2H3;2H,1H3
InChIKeyJNKZRQZUGLUNAI-UHFFFAOYSA-N
MW222.46 g/mol
LogP5.52
Rot. Bonds2

About 3,3-dimethylpentane;ethane;methanol

3,3-dimethylpentane;ethane;methanol (PubChem CID 144527462) has the molecular formula C14H38O and a molecular weight of 222.46 g/mol. Its IUPAC name is 3,3-dimethylpentane;ethane;methanol.

Molecular Properties

Compound Name3,3-dimethylpentane;ethane;methanol
PubChem CID144527462
Molecular FormulaC14H38O
Molecular Weight222.46 g/mol
Exact Mass222.29
IUPAC Name3,3-dimethylpentane;ethane;methanol
SMILESCC.CC.CC.CCC(C)(C)CC.CO
InChIInChI=1S/C7H16.3C2H6.CH4O/c1-5-7(3,4)6-2;4*1-2/h5-6H2,1-4H3;3*1-2H3;2H,1H3
InChIKeyJNKZRQZUGLUNAI-UHFFFAOYSA-N
XLogP5.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
3,3-dimethylpentane;tris(nitric acid)
CID 173399914
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
3-ethyl-3-methylpentane;methanol
CID 143799596
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane;ethane;methanol?
The IUPAC name of 3,3-dimethylpentane;ethane;methanol (CID 144527462) is 3,3-dimethylpentane;ethane;methanol.
What is the SMILES notation for 3,3-dimethylpentane;ethane;methanol?
The canonical SMILES for 3,3-dimethylpentane;ethane;methanol is CC.CC.CC.CCC(C)(C)CC.CO.
What is the InChIKey of 3,3-dimethylpentane;ethane;methanol?
The InChIKey is JNKZRQZUGLUNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.3C2H6.CH4O/c1-5-7(3,4)6-2;4*1-2/h5-6H2,1-4H3;3*1-2H3;2H,1H3.
What are the key properties of 3,3-dimethylpentane;ethane;methanol?
3,3-dimethylpentane;ethane;methanol has a molecular weight of 222.46 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane;ethane;methanol is sourced from PubChem (CID 144527462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).