3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol

C11H20O2 — CID 106651390

IUPAC3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COC1=CCCCC1
InChIInChI=1S/C11H20O2/c1-11(2,8-12)9-13-10-6-4-3-5-7-10/h6,12H,3-5,7-9H2,1-2H3
InChIKeyBQWWCUVKAATXTQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds4

About 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol

3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol (PubChem CID 106651390) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol
PubChem CID106651390
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COC1=CCCCC1
InChIInChI=1S/C11H20O2/c1-11(2,8-12)9-13-10-6-4-3-5-7-10/h6,12H,3-5,7-9H2,1-2H3
InChIKeyBQWWCUVKAATXTQ-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol (CID 106651390) is 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol is CC(C)(CO)COC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol?
The InChIKey is BQWWCUVKAATXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,8-12)9-13-10-6-4-3-5-7-10/h6,12H,3-5,7-9H2,1-2H3.
What are the key properties of 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol?
3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 106651390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).