ethane;1-methylbicyclo[2.2.1]heptane

C12H26 — CID 164557496

IUPACethane;1-methylbicyclo[2.2.1]heptane
SMILESCC.CC.CC12CCC(CC1)C2
InChIInChI=1S/C8H14.2C2H6/c1-8-4-2-7(6-8)3-5-8;2*1-2/h7H,2-6H2,1H3;2*1-2H3
InChIKeyLZHDQHKZCLBNDZ-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds

About ethane;1-methylbicyclo[2.2.1]heptane

ethane;1-methylbicyclo[2.2.1]heptane (PubChem CID 164557496) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is ethane;1-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;1-methylbicyclo[2.2.1]heptane
PubChem CID164557496
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Nameethane;1-methylbicyclo[2.2.1]heptane
SMILESCC.CC.CC12CCC(CC1)C2
InChIInChI=1S/C8H14.2C2H6/c1-8-4-2-7(6-8)3-5-8;2*1-2/h7H,2-6H2,1H3;2*1-2H3
InChIKeyLZHDQHKZCLBNDZ-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethylbicyclo[4.2.1]nonane
CID 152820213
1-methylbicyclo[2.2.1]heptane diisocyanate
CID 18769286
1-methyl-3-azabicyclo[3.2.1]octane
CID 55286397
1-methyl-2-(6-methyl-3-bicyclo[4.2.1]nonanyl)cyclopropan-1-ol
CID 123164851
3-ethyl-3-methylpentan-2-one;1-methylbicyclo[2.2.1]heptane;2-methylprop-1-ene
CID 143468476
6-methyl-2-azabicyclo[4.2.1]nonane
CID 146651010
(1R)-1-methylbicyclo[4.3.2]undecane
CID 177097651
ethane;1-ethylbicyclo[2.2.1]heptane
CID 168937878
adamantane;1-methyladamantane
CID 53425859
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
1-methyl-2-azabicyclo[2.2.1]heptane;hydroiodide
CID 173152924
4-methyl-2-azabicyclo[2.2.2]octane
CID 123620881

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylbicyclo[2.2.1]heptane?
The IUPAC name of ethane;1-methylbicyclo[2.2.1]heptane (CID 164557496) is ethane;1-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;1-methylbicyclo[2.2.1]heptane?
The canonical SMILES for ethane;1-methylbicyclo[2.2.1]heptane is CC.CC.CC12CCC(CC1)C2.
What is the InChIKey of ethane;1-methylbicyclo[2.2.1]heptane?
The InChIKey is LZHDQHKZCLBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.2C2H6/c1-8-4-2-7(6-8)3-5-8;2*1-2/h7H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylbicyclo[2.2.1]heptane?
ethane;1-methylbicyclo[2.2.1]heptane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 164557496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).