3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile

C10H15NO — CID 11030176

IUPAC3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile
SMILESCC1(O)C=C(C#N)CC(C)(C)C1
InChIInChI=1S/C10H15NO/c1-9(2)4-8(6-11)5-10(3,12)7-9/h5,12H,4,7H2,1-3H3
InChIKeyIOUMQWOLTHRBAE-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.01
Rot. Bonds

About 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile

3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile (PubChem CID 11030176) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile
PubChem CID11030176
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile
SMILESCC1(O)C=C(C#N)CC(C)(C)C1
InChIInChI=1S/C10H15NO/c1-9(2)4-8(6-11)5-10(3,12)7-9/h5,12H,4,7H2,1-3H3
InChIKeyIOUMQWOLTHRBAE-UHFFFAOYSA-N
XLogP2.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fscbiziqzaxwac-vmpitwqzsa-
CID 21635551
1-(Cyclohexen-1-yl)-3-hydroxy-3-methylcyclobutane-1-carbonitrile
CID 134968683
(Z)-2-(3-hydroxy-3,5,5-trimethylcyclohexen-1-yl)but-2-enenitrile
CID 11830571
(Z)-2-(3-hydroxy-3,5,5-trimethylcyclohexen-1-yl)pent-2-enenitrile
CID 12015124
2-(3-Hydroxy-3,5,5-trimethylcyclohexen-1-yl)propanenitrile
CID 12015136
(3Z)-3-(2-hydroxy-2,6,6-trimethylcyclohexylidene)propanenitrile
CID 12015141
(Z)-2-(1-hydroxycyclohexyl)but-2-enedinitrile
CID 101397634
3-Hydroxy-2,6,6-trimethyl-1-cyclohexene-1-carbonitrile
CID 11137487
2-(1-Hydroxy-4-methylcyclohex-3-en-1-yl)-2-methylpropanenitrile
CID 13557854
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)propanenitrile
CID 124113451
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)hexanenitrile
CID 124113455
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)acetonitrile
CID 124113457

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile?
The IUPAC name of 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile (CID 11030176) is 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile.
What is the SMILES notation for 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile?
The canonical SMILES for 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile is CC1(O)C=C(C#N)CC(C)(C)C1.
What is the InChIKey of 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile?
The InChIKey is IOUMQWOLTHRBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9(2)4-8(6-11)5-10(3,12)7-9/h5,12H,4,7H2,1-3H3.
What are the key properties of 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile?
3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,5,5-trimethylcyclohexene-1-carbonitrile is sourced from PubChem (CID 11030176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).