ethane;3-methylpentane

C8H20 — CID 91147782

IUPACethane;3-methylpentane
SMILESCC.CCC(C)CC
InChIInChI=1S/C6H14.C2H6/c1-4-6(3)5-2;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyRSLWYWHVRGRLGW-UHFFFAOYSA-N
MW116.25 g/mol
LogP3.47
Rot. Bonds2

About ethane;3-methylpentane

ethane;3-methylpentane (PubChem CID 91147782) has the molecular formula C8H20 and a molecular weight of 116.25 g/mol. Its IUPAC name is ethane;3-methylpentane.

Molecular Properties

Compound Nameethane;3-methylpentane
PubChem CID91147782
Molecular FormulaC8H20
Molecular Weight116.25 g/mol
Exact Mass116.16
IUPAC Nameethane;3-methylpentane
SMILESCC.CCC(C)CC
InChIInChI=1S/C6H14.C2H6/c1-4-6(3)5-2;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyRSLWYWHVRGRLGW-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;3-methylpentane
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3-methylpentane;hydrate
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methane;3-methylpentane
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acetylene;ethane;3-methylpentane;propane
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ethane;ethene;methane;3-methylpentane;propane
CID 144518187
3,5-dimethylheptane;ethane
CID 172617343
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
2,2-difluorobutane;ethane;3-methylpentane
CID 145386582
butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane
CID 176918653
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
carbonic acid;3-methylpentane
CID 173481374

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylpentane?
The IUPAC name of ethane;3-methylpentane (CID 91147782) is ethane;3-methylpentane.
What is the SMILES notation for ethane;3-methylpentane?
The canonical SMILES for ethane;3-methylpentane is CC.CCC(C)CC.
What is the InChIKey of ethane;3-methylpentane?
The InChIKey is RSLWYWHVRGRLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C2H6/c1-4-6(3)5-2;1-2/h6H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methylpentane?
ethane;3-methylpentane has a molecular weight of 116.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylpentane is sourced from PubChem (CID 91147782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).