2,3-dimethylbutane;ethane

C14H38 — CID 143330980

IUPAC2,3-dimethylbutane;ethane
SMILESCC.CC.CC.CC.CC(C)C(C)C
InChIInChI=1S/C6H14.4C2H6/c1-5(2)6(3)4;4*1-2/h5-6H,1-4H3;4*1-2H3
InChIKeyLRQNUEGMAKCMDQ-UHFFFAOYSA-N
MW206.46 g/mol
LogP6.40
Rot. Bonds1

About 2,3-dimethylbutane;ethane

2,3-dimethylbutane;ethane (PubChem CID 143330980) has the molecular formula C14H38 and a molecular weight of 206.46 g/mol. Its IUPAC name is 2,3-dimethylbutane;ethane.

Molecular Properties

Compound Name2,3-dimethylbutane;ethane
PubChem CID143330980
Molecular FormulaC14H38
Molecular Weight206.46 g/mol
Exact Mass206.30
IUPAC Name2,3-dimethylbutane;ethane
SMILESCC.CC.CC.CC.CC(C)C(C)C
InChIInChI=1S/C6H14.4C2H6/c1-5(2)6(3)4;4*1-2/h5-6H,1-4H3;4*1-2H3
InChIKeyLRQNUEGMAKCMDQ-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.46
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2,3-dimethylbutane;ethane
CID 159807591
2,3-dimethylbutane;ethane;propane
CID 144519619
2,3-dimethylbutane;methanol
CID 142260145
ethane;tetrakis(2-methylpropane)
CID 160890290
2,3-dimethylbutane;bis(sulfanediol)
CID 119097400
ethane;hydron;bis(2,3,4-trimethylpentane)
CID 160880864
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
2,3-dimethylbutane tetrafluoroborate
CID 174871894
ethane;methane;bis(2-methylpropane)
CID 142279596
ethane;methane;bis(2-methylpropane)
CID 169426228
ethane;methane;2-methylpropane
CID 161431647
acetylene;butane;2,3-dimethylbutane;ethane;ethene
CID 142052367

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;ethane?
The IUPAC name of 2,3-dimethylbutane;ethane (CID 143330980) is 2,3-dimethylbutane;ethane.
What is the SMILES notation for 2,3-dimethylbutane;ethane?
The canonical SMILES for 2,3-dimethylbutane;ethane is CC.CC.CC.CC.CC(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutane;ethane?
The InChIKey is LRQNUEGMAKCMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.4C2H6/c1-5(2)6(3)4;4*1-2/h5-6H,1-4H3;4*1-2H3.
What are the key properties of 2,3-dimethylbutane;ethane?
2,3-dimethylbutane;ethane has a molecular weight of 206.46 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;ethane is sourced from PubChem (CID 143330980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).