6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol

C9H16O2 — CID 145284011

IUPAC6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol
SMILESCC1=C(O)C(CO)CC(C)C1
InChIInChI=1S/C9H16O2/c1-6-3-7(2)9(11)8(4-6)5-10/h6,8,10-11H,3-5H2,1-2H3
InChIKeyKJTSDDWPHJEDKU-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.86
Rot. Bonds1

About 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol

6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol (PubChem CID 145284011) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol
PubChem CID145284011
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol
SMILESCC1=C(O)C(CO)CC(C)C1
InChIInChI=1S/C9H16O2/c1-6-3-7(2)9(11)8(4-6)5-10/h6,8,10-11H,3-5H2,1-2H3
InChIKeyKJTSDDWPHJEDKU-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(2S,6S)-2-(hydroxymethyl)-4,6-dimethylcyclohexan-1-one
CID 67149597
1,2,3,5-tetramethylcyclohexene
CID 12751060
2-hydroxy-7-(hydroxymethyl)-3,5-dimethylcycloheptan-1-one
CID 130149053
(2S,3R,5S,7R)-2-hydroxy-7-(hydroxymethyl)-3,5-dimethylcycloheptan-1-one
CID 102074323
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
CID 58858610
6-(hydroxymethyl)-4-methyloxan-2-one
CID 14520546
(2Z)-2-[(2S,4S)-2-amino-4-methylcyclopentylidene]-3,3,3-trifluoropropan-1-ol
CID 158549676
3-methylcyclobutene-1,2-diol
CID 88819177
1-ethyl-2,4-dimethylcyclopentene
CID 123584374
3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene
CID 149129589
(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one
CID 70587872

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol?
The IUPAC name of 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol (CID 145284011) is 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol.
What is the SMILES notation for 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol?
The canonical SMILES for 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol is CC1=C(O)C(CO)CC(C)C1.
What is the InChIKey of 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol?
The InChIKey is KJTSDDWPHJEDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-3-7(2)9(11)8(4-6)5-10/h6,8,10-11H,3-5H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol?
6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol is sourced from PubChem (CID 145284011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).