ethane;1-ethylbicyclo[2.2.1]heptane

C13H28 — CID 168937878

IUPACethane;1-ethylbicyclo[2.2.1]heptane
SMILESCC.CC.CCC12CCC(CC1)C2
InChIInChI=1S/C9H16.2C2H6/c1-2-9-5-3-8(7-9)4-6-9;2*1-2/h8H,2-7H2,1H3;2*1-2H3
InChIKeyBTURDDLHLZLTJG-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds1

About ethane;1-ethylbicyclo[2.2.1]heptane

ethane;1-ethylbicyclo[2.2.1]heptane (PubChem CID 168937878) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is ethane;1-ethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;1-ethylbicyclo[2.2.1]heptane
PubChem CID168937878
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Nameethane;1-ethylbicyclo[2.2.1]heptane
SMILESCC.CC.CCC12CCC(CC1)C2
InChIInChI=1S/C9H16.2C2H6/c1-2-9-5-3-8(7-9)4-6-9;2*1-2/h8H,2-7H2,1H3;2*1-2H3
InChIKeyBTURDDLHLZLTJG-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 173088739
1,3,5-triethyladamantane
CID 21415733
1-propylbicyclo[3.3.1]nonane
CID 23320022
ethane;1-methylbicyclo[2.2.1]heptane
CID 164557496
1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride
CID 119031417
3-ethyl-3-methylbicyclo[4.2.1]nonane
CID 146888637
1-(2-cyclopentylethyl)bicyclo[2.2.1]heptane
CID 173147760
1-propyl-3-azabicyclo[3.2.1]octane
CID 84763453
3-(1-bicyclo[2.2.1]heptanyl)propanoic acid
CID 70398631
1-bicyclo[2.2.1]heptanyl(triethyl)silane
CID 142641606
1-pentylbicyclo[2.2.2]octane
CID 13184608
1-ethyl-3,5-dipropyladamantane
CID 609649

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylbicyclo[2.2.1]heptane?
The IUPAC name of ethane;1-ethylbicyclo[2.2.1]heptane (CID 168937878) is ethane;1-ethylbicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;1-ethylbicyclo[2.2.1]heptane?
The canonical SMILES for ethane;1-ethylbicyclo[2.2.1]heptane is CC.CC.CCC12CCC(CC1)C2.
What is the InChIKey of ethane;1-ethylbicyclo[2.2.1]heptane?
The InChIKey is BTURDDLHLZLTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.2C2H6/c1-2-9-5-3-8(7-9)4-6-9;2*1-2/h8H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethylbicyclo[2.2.1]heptane?
ethane;1-ethylbicyclo[2.2.1]heptane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 168937878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).