3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile

C19H29NO — CID 79116244

IUPAC3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile
SMILESCCC1CCCC(C#N)(C2(O)CC3CC2C2CCCC32)C1
InChIInChI=1S/C19H29NO/c1-2-13-5-4-8-18(10-13,12-20)19(21)11-14-9-17(19)16-7-3-6-15(14)16/h13-17,21H,2-11H2,1H3
InChIKeyLZSSWVXPMFXXGU-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.28
Rot. Bonds2

About 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile

3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile (PubChem CID 79116244) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile
PubChem CID79116244
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile
SMILESCCC1CCCC(C#N)(C2(O)CC3CC2C2CCCC32)C1
InChIInChI=1S/C19H29NO/c1-2-13-5-4-8-18(10-13,12-20)19(21)11-14-9-17(19)16-7-3-6-15(14)16/h13-17,21H,2-11H2,1H3
InChIKeyLZSSWVXPMFXXGU-UHFFFAOYSA-N
XLogP4.28
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile
CID 79130260
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
3-ethyl-1-(4-hydroxy-2-propan-2-yloxan-4-yl)cyclohexane-1-carbonitrile
CID 79132162
8-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386823
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile
CID 79132877
3-ethyl-1-(3-methylcyclohexyl)cyclohexane-1-carbonitrile
CID 114277439
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
CID 54499262

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile (CID 79116244) is 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile is CCC1CCCC(C#N)(C2(O)CC3CC2C2CCCC32)C1.
What is the InChIKey of 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile?
The InChIKey is LZSSWVXPMFXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-13-5-4-8-18(10-13,12-20)19(21)11-14-9-17(19)16-7-3-6-15(14)16/h13-17,21H,2-11H2,1H3.
What are the key properties of 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile?
3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile has a molecular weight of 287.45 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(8-hydroxy-8-tricyclo[5.2.1.02,6]decanyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79116244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).