bicyclo[2.2.1]heptan-2-ol;ethane

C11H24O — CID 143739215

IUPACbicyclo[2.2.1]heptan-2-ol;ethane
SMILESCC.CC.OC1CC2CCC1C2
InChIInChI=1S/C7H12O.2C2H6/c8-7-4-5-1-2-6(7)3-5;2*1-2/h5-8H,1-4H2;2*1-2H3
InChIKeyNINZHDMWLHBIFS-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds

About bicyclo[2.2.1]heptan-2-ol;ethane

bicyclo[2.2.1]heptan-2-ol;ethane (PubChem CID 143739215) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is bicyclo[2.2.1]heptan-2-ol;ethane.

Molecular Properties

Compound Namebicyclo[2.2.1]heptan-2-ol;ethane
PubChem CID143739215
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Namebicyclo[2.2.1]heptan-2-ol;ethane
SMILESCC.CC.OC1CC2CCC1C2
InChIInChI=1S/C7H12O.2C2H6/c8-7-4-5-1-2-6(7)3-5;2*1-2/h5-8H,1-4H2;2*1-2H3
InChIKeyNINZHDMWLHBIFS-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid
CID 57358132
bicyclo[2.2.1]heptan-2-ol;methoxy(trimethyl)silane
CID 158307954
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
3-azabicyclo[3.2.2]nonan-6-ol
CID 58023136
(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 18390289
(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 124771553
2-bromobicyclo[2.2.1]heptane;methanamine
CID 174462480
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
6-methylbicyclo[2.2.2]octan-2-ol
CID 5158952
(1R,2R,4S,6S)-6-methylbicyclo[2.2.2]octan-2-ol
CID 130977977
(2S)-bicyclo[3.2.2]nonan-2-ol
CID 10749279
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptan-2-ol;ethane?
The IUPAC name of bicyclo[2.2.1]heptan-2-ol;ethane (CID 143739215) is bicyclo[2.2.1]heptan-2-ol;ethane.
What is the SMILES notation for bicyclo[2.2.1]heptan-2-ol;ethane?
The canonical SMILES for bicyclo[2.2.1]heptan-2-ol;ethane is CC.CC.OC1CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]heptan-2-ol;ethane?
The InChIKey is NINZHDMWLHBIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.2C2H6/c8-7-4-5-1-2-6(7)3-5;2*1-2/h5-8H,1-4H2;2*1-2H3.
What are the key properties of bicyclo[2.2.1]heptan-2-ol;ethane?
bicyclo[2.2.1]heptan-2-ol;ethane has a molecular weight of 172.31 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptan-2-ol;ethane is sourced from PubChem (CID 143739215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).