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

C13H24O — CID 79550101

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)CC1CC2CCC1C2
InChIInChI=1S/C13H24O/c1-3-13(2,9-14)8-12-7-10-4-5-11(12)6-10/h10-12,14H,3-9H2,1-2H3
InChIKeyOVJOXAGBBFFQCB-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds4

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

2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol (PubChem CID 79550101) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
PubChem CID79550101
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)CC1CC2CCC1C2
InChIInChI=1S/C13H24O/c1-3-13(2,9-14)8-12-7-10-4-5-11(12)6-10/h10-12,14H,3-9H2,1-2H3
InChIKeyOVJOXAGBBFFQCB-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 79563423
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
CID 79558507
2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine
CID 79563101
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
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79558530
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790
3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 116610786
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol (CID 79550101) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol is CCC(C)(CO)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol?
The InChIKey is OVJOXAGBBFFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-13(2,9-14)8-12-7-10-4-5-11(12)6-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol?
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 4 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-methylbutan-1-ol is sourced from PubChem (CID 79550101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).