1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol

C13H24O — CID 79558507

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CC1CC2CCC1C2
InChIInChI=1S/C13H24O/c1-9(2)13(3,14)8-12-7-10-4-5-11(12)6-10/h9-12,14H,4-8H2,1-3H3
InChIKeyPMKSTMKGCLGGKF-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol (PubChem CID 79558507) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
PubChem CID79558507
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CC1CC2CCC1C2
InChIInChI=1S/C13H24O/c1-9(2)13(3,14)8-12-7-10-4-5-11(12)6-10/h9-12,14H,4-8H2,1-3H3
InChIKeyPMKSTMKGCLGGKF-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-methylpropanal
CID 124526830
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-2-methylbutan-2-ol
CID 79558049
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
3-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoropropane-1-sulfonic acid
CID 129061676
2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanethiol
CID 88533788
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol
CID 79559635
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid
CID 83139469
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79558432

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol (CID 79558507) is 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol?
The InChIKey is PMKSTMKGCLGGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)13(3,14)8-12-7-10-4-5-11(12)6-10/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 79558507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).