[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol

C13H24O — CID 130706865

IUPAC[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCC(C)C(C)C1(CO)CC2CCC1C2
InChIInChI=1S/C13H24O/c1-9(2)10(3)13(8-14)7-11-4-5-12(13)6-11/h9-12,14H,4-8H2,1-3H3
InChIKeyQIZSGSPSHPVKEK-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.08
Rot. Bonds3

About [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol

[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 130706865) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID130706865
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCC(C)C(C)C1(CO)CC2CCC1C2
InChIInChI=1S/C13H24O/c1-9(2)10(3)13(8-14)7-11-4-5-12(13)6-11/h9-12,14H,4-8H2,1-3H3
InChIKeyQIZSGSPSHPVKEK-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 12648920
(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol
CID 130877530
1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol
CID 116503452
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol
CID 113383710
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 105430374
(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
CID 59033980
2-pentan-2-ylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 107889036
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 113383719
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane
CID 91230238
3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
CID 168807164
[2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol
CID 130731474

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol (CID 130706865) is [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol is CC(C)C(C)C1(CO)CC2CCC1C2.
What is the InChIKey of [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is QIZSGSPSHPVKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)10(3)13(8-14)7-11-4-5-12(13)6-11/h9-12,14H,4-8H2,1-3H3.
What are the key properties of [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol?
[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 196.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 130706865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).