ethane;2-methylpropane;propane

C14H38 — CID 144940074

IUPACethane;2-methylpropane;propane
SMILESCC.CC.CC(C)C.CCC.CCC
InChIInChI=1S/C4H10.2C3H8.2C2H6/c1-4(2)3;2*1-3-2;2*1-2/h4H,1-3H3;2*3H2,1-2H3;2*1-2H3
InChIKeyNDTRCESJZHBFKY-UHFFFAOYSA-N
MW206.46 g/mol
LogP6.55
Rot. Bonds

About ethane;2-methylpropane;propane

ethane;2-methylpropane;propane (PubChem CID 144940074) has the molecular formula C14H38 and a molecular weight of 206.46 g/mol. Its IUPAC name is ethane;2-methylpropane;propane.

Molecular Properties

Compound Nameethane;2-methylpropane;propane
PubChem CID144940074
Molecular FormulaC14H38
Molecular Weight206.46 g/mol
Exact Mass206.30
IUPAC Nameethane;2-methylpropane;propane
SMILESCC.CC.CC(C)C.CCC.CCC
InChIInChI=1S/C4H10.2C3H8.2C2H6/c1-4(2)3;2*1-3-2;2*1-2/h4H,1-3H3;2*3H2,1-2H3;2*1-2H3
InChIKeyNDTRCESJZHBFKY-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.46
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;ethene;methane;2-methylpropane;propane
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2,3-dimethylbutane;ethane;propane
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ethane;tetrakis(2-methylpropane)
CID 160890290
deuteriomethane;bis(2-methylpropane);propane;tritioethane
CID 158373612
ethane;methane;2-methylbutane;propane
CID 162144061
ethane;hexane;2-methylpropane
CID 143834457
ethane;methane;bis(2-methylpropane)
CID 169426228
ethane;methane;propane
CID 158640727
ethane;propane;hydrofluoride
CID 144867037
ethane;methane;2-methylpropane
CID 161431647
ethane;methane;propane
CID 165064359

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;propane?
The IUPAC name of ethane;2-methylpropane;propane (CID 144940074) is ethane;2-methylpropane;propane.
What is the SMILES notation for ethane;2-methylpropane;propane?
The canonical SMILES for ethane;2-methylpropane;propane is CC.CC.CC(C)C.CCC.CCC.
What is the InChIKey of ethane;2-methylpropane;propane?
The InChIKey is NDTRCESJZHBFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.2C3H8.2C2H6/c1-4(2)3;2*1-3-2;2*1-2/h4H,1-3H3;2*3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methylpropane;propane?
ethane;2-methylpropane;propane has a molecular weight of 206.46 g/mol, XLogP of 6.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;propane is sourced from PubChem (CID 144940074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).