3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol

C12H20O2 — CID 65177375

IUPAC3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol
SMILESOC1C=C(CC2CCOCC2)CCC1
InChIInChI=1S/C12H20O2/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h9-10,12-13H,1-8H2
InChIKeyVDKWKEWOCARIMV-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.27
Rot. Bonds2

About 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol

3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol (PubChem CID 65177375) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol
PubChem CID65177375
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol
SMILESOC1C=C(CC2CCOCC2)CCC1
InChIInChI=1S/C12H20O2/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h9-10,12-13H,1-8H2
InChIKeyVDKWKEWOCARIMV-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
3-(oxolan-3-yl)cyclohex-2-en-1-ol
CID 65171607
3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol
CID 65176939
3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117149895
3-hept-6-enylcyclohex-2-en-1-ol
CID 107010524
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62387139
[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149507
2-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 62386824
2-(oxan-4-ylmethyl)pyrimidine
CID 67123778
(3-chlorocyclopenten-1-yl)methylcyclohexane
CID 65175889
oxan-4-ylmethanol
CID 2773573
2-(oxan-4-ylmethyl)-1,3,4-oxadiazole
CID 141181283

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol (CID 65177375) is 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol is OC1C=C(CC2CCOCC2)CCC1.
What is the InChIKey of 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol?
The InChIKey is VDKWKEWOCARIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h9-10,12-13H,1-8H2.
What are the key properties of 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol?
3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 65177375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).