1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol

C16H28O — CID 79559177

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(CC2CC3CCC2C3)CC1C
InChIInChI=1S/C16H28O/c1-11-5-6-16(17,9-12(11)2)10-15-8-13-3-4-14(15)7-13/h11-15,17H,3-10H2,1-2H3
InChIKeyRQPUAOJUGVQIIF-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.00
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol

1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol (PubChem CID 79559177) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol
PubChem CID79559177
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(CC2CC3CCC2C3)CC1C
InChIInChI=1S/C16H28O/c1-11-5-6-16(17,9-12(11)2)10-15-8-13-3-4-14(15)7-13/h11-15,17H,3-10H2,1-2H3
InChIKeyRQPUAOJUGVQIIF-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-ol
CID 116540023
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
CID 79559407
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dihydroinden-2-ol
CID 79558173
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile
CID 79550902
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
CID 19890420
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 79559180
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethylcyclopentan-1-amine
CID 79558415
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
[2-(2-bicyclo[2.2.1]heptanylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 79550553
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol (CID 79559177) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol is CC1CCC(O)(CC2CC3CCC2C3)CC1C.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol?
The InChIKey is RQPUAOJUGVQIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-11-5-6-16(17,9-12(11)2)10-15-8-13-3-4-14(15)7-13/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol?
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.00, 2 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]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79559177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).