4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

C16H28O — CID 72785049

IUPAC4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
SMILESCC1(C)C2CCC(C2)C1(C)C1CCC(O)CC1
InChIInChI=1S/C16H28O/c1-15(2)12-4-5-13(10-12)16(15,3)11-6-8-14(17)9-7-11/h11-14,17H,4-10H2,1-3H3
InChIKeyURGUCIZIGKPWGI-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.00
Rot. Bonds1

About 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol (PubChem CID 72785049) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
PubChem CID72785049
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
SMILESCC1(C)C2CCC(C2)C1(C)C1CCC(O)CC1
InChIInChI=1S/C16H28O/c1-15(2)12-4-5-13(10-12)16(15,3)11-6-8-14(17)9-7-11/h11-14,17H,4-10H2,1-3H3
InChIKeyURGUCIZIGKPWGI-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol with MolForge

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Related Compounds

4-(1-methylcyclopentyl)cyclohexan-1-ol
CID 69367175
cyclohexane-1,4-diol
CID 11162
4-[(1S,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 99133670
3,3-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;methylsilane
CID 123489658
(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11008359
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]
CID 139233763
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
cyclohexane-1,4-diol;hydrochloride
CID 141062883
(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol
CID 130927472
4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
CID 101328421

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol?
The IUPAC name of 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol (CID 72785049) is 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol is CC1(C)C2CCC(C2)C1(C)C1CCC(O)CC1.
What is the InChIKey of 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol?
The InChIKey is URGUCIZIGKPWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-15(2)12-4-5-13(10-12)16(15,3)11-6-8-14(17)9-7-11/h11-14,17H,4-10H2,1-3H3.
What are the key properties of 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol?
4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol is sourced from PubChem (CID 72785049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).