ethane;3-ethyl-3-methylpentane

C12H30 — CID 158904304

IUPACethane;3-ethyl-3-methylpentane
SMILESCC.CC.CCC(C)(CC)CC
InChIInChI=1S/C8H18.2C2H6/c1-5-8(4,6-2)7-3;2*1-2/h5-7H2,1-4H3;2*1-2H3
InChIKeyJFVRFVZAQVJOCD-UHFFFAOYSA-N
MW174.37 g/mol
LogP5.28
Rot. Bonds3

About ethane;3-ethyl-3-methylpentane

ethane;3-ethyl-3-methylpentane (PubChem CID 158904304) has the molecular formula C12H30 and a molecular weight of 174.37 g/mol. Its IUPAC name is ethane;3-ethyl-3-methylpentane.

Molecular Properties

Compound Nameethane;3-ethyl-3-methylpentane
PubChem CID158904304
Molecular FormulaC12H30
Molecular Weight174.37 g/mol
Exact Mass174.23
IUPAC Nameethane;3-ethyl-3-methylpentane
SMILESCC.CC.CCC(C)(CC)CC
InChIInChI=1S/C8H18.2C2H6/c1-5-8(4,6-2)7-3;2*1-2/h5-7H2,1-4H3;2*1-2H3
InChIKeyJFVRFVZAQVJOCD-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500174.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-3-methylpentane;methanol
CID 143799596
ethane;3-ethyl-3-methylpentane;methane;1,4-xylene
CID 158034603
N,N,2-triethyl-2-methylbutan-1-amine
CID 130442149
CID 20601392
CID 20601392
ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079
ethane;2-fluoro-2-methylbutane
CID 143329956
N-tert-butyl-2-methylbutan-2-amine;ethane
CID 142129044
ethane;4-ethyl-4-methylnonane
CID 164538733
3,3-dimethylpentane;ethane;methanol
CID 144527462
N,N-dimethylmethanamine;3-ethyl-3-methylpentane;methane;3-methylpentane;2-methylpropane
CID 158967463
3-(bromomethyl)-1,1-difluoro-3-methylpentane
CID 165443659
(2-ethyl-2-methylbutyl)hydrazine
CID 143359064

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-methylpentane?
The IUPAC name of ethane;3-ethyl-3-methylpentane (CID 158904304) is ethane;3-ethyl-3-methylpentane.
What is the SMILES notation for ethane;3-ethyl-3-methylpentane?
The canonical SMILES for ethane;3-ethyl-3-methylpentane is CC.CC.CCC(C)(CC)CC.
What is the InChIKey of ethane;3-ethyl-3-methylpentane?
The InChIKey is JFVRFVZAQVJOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.2C2H6/c1-5-8(4,6-2)7-3;2*1-2/h5-7H2,1-4H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-3-methylpentane?
ethane;3-ethyl-3-methylpentane has a molecular weight of 174.37 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-methylpentane is sourced from PubChem (CID 158904304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).