[2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol

C14H22O2Se — CID 139046327

IUPAC[2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol
SMILESOCC1=C([Se]C2=C(CO)CCCC2)CCCC1
InChIInChI=1S/C14H22O2Se/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h15-16H,1-10H2
InChIKeyIEGQALMMWSDSPO-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.33
Rot. Bonds4

About [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol

[2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol (PubChem CID 139046327) has the molecular formula C14H22O2Se and a molecular weight of 301.29 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol
PubChem CID139046327
Molecular FormulaC14H22O2Se
Molecular Weight301.29 g/mol
Exact Mass302.08
IUPAC Name[2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol
SMILESOCC1=C([Se]C2=C(CO)CCCC2)CCCC1
InChIInChI=1S/C14H22O2Se/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h15-16H,1-10H2
InChIKeyIEGQALMMWSDSPO-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(trifluoromethylsulfanyloxy)cyclohexen-1-yl]methanol
CID 137412670
[(1E)-2-pentylcyclotetradecen-1-yl]methanol
CID 13438654
(2-propan-2-ylcyclopenten-1-yl)methanol
CID 153463794
(2,8-diethylcycloocta-1,7-dien-1-yl)methanol
CID 91350727
tris(2-ethylcyclohexen-1-yl)alumane
CID 19087387
cyclododecen-1-ylmethanol
CID 70464862
cyclohexanone;bis(ethane-1,2-diol)
CID 174864524
[4-(hydroxymethyl)-7-azabicyclo[4.1.0]hepta-1(6),3-dien-3-yl]methanol
CID 176808764
1,2-bis(2-methylpropyl)cyclohexene
CID 163419117
2-(2-nitrocyclohexen-1-yl)acetic acid
CID 86177455
methyl 3-[2-[[2-(hydroxymethyl)cyclohexen-1-yl]methyl]phenyl]propanoate
CID 139618322
cyclohexanone;ethanol
CID 66906383

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol?
The IUPAC name of [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol (CID 139046327) is [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol.
What is the SMILES notation for [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol?
The canonical SMILES for [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol is OCC1=C([Se]C2=C(CO)CCCC2)CCCC1.
What is the InChIKey of [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol?
The InChIKey is IEGQALMMWSDSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Se/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h15-16H,1-10H2.
What are the key properties of [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol?
[2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol has a molecular weight of 301.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)cyclohexen-1-yl]selanylcyclohexen-1-yl]methanol is sourced from PubChem (CID 139046327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).