2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol

C14H26O — CID 79549926

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CC1CC2CCC1C2
InChIInChI=1S/C14H26O/c1-3-14(4-2,10-15)9-13-8-11-5-6-12(13)7-11/h11-13,15H,3-10H2,1-2H3
InChIKeyPZCYVEIITKXVBO-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.61
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol

2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol (PubChem CID 79549926) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
PubChem CID79549926
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CC1CC2CCC1C2
InChIInChI=1S/C14H26O/c1-3-14(4-2,10-15)9-13-8-11-5-6-12(13)7-11/h11-13,15H,3-10H2,1-2H3
InChIKeyPZCYVEIITKXVBO-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
CID 79558507
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanethiol
CID 88533788
[8-(hydroxymethyl)-4-bicyclo[5.2.1]decanyl]methanol
CID 66848084
2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 79563423
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-methylpropanal
CID 124526830
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol (CID 79549926) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol is CCC(CC)(CO)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol?
The InChIKey is PZCYVEIITKXVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-14(4-2,10-15)9-13-8-11-5-6-12(13)7-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol?
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 79549926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).