[(2S,3S)-3-cyclohexyloxiran-2-yl]methanol

C9H16O2 — CID 13427836

IUPAC[(2S,3S)-3-cyclohexyloxiran-2-yl]methanol
SMILESOC[C@@H]1O[C@H]1C1CCCCC1
InChIInChI=1S/C9H16O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h7-10H,1-6H2/t8-,9-/m0/s1
InChIKeyJHPCIQWUOSMNLK-IUCAKERBSA-N
MW156.22 g/mol
LogP1.33
Rot. Bonds2

About [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol

[(2S,3S)-3-cyclohexyloxiran-2-yl]methanol (PubChem CID 13427836) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-cyclohexyloxiran-2-yl]methanol
PubChem CID13427836
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2S,3S)-3-cyclohexyloxiran-2-yl]methanol
SMILESOC[C@@H]1O[C@H]1C1CCCCC1
InChIInChI=1S/C9H16O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h7-10H,1-6H2/t8-,9-/m0/s1
InChIKeyJHPCIQWUOSMNLK-IUCAKERBSA-N
XLogP1.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 6551
CID 6551
CID 14102157
CID 14102157
CID 24704778
CID 24704778
CID 105431045
CID 105431045
CID 11018993
CID 11018993
CID 11789331
CID 11789331
CID 13427835
CID 13427835
CID 130584312
CID 130584312
CID 134999621
CID 134999621
CID 13585972
CID 13585972
CID 347038
CID 347038
CID 10844507
CID 10844507

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol (CID 13427836) is [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol is OC[C@@H]1O[C@H]1C1CCCCC1.
What is the InChIKey of [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol?
The InChIKey is JHPCIQWUOSMNLK-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h7-10H,1-6H2/t8-,9-/m0/s1.
What are the key properties of [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol?
[(2S,3S)-3-cyclohexyloxiran-2-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-cyclohexyloxiran-2-yl]methanol is sourced from PubChem (CID 13427836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).