(2S,6R)-2-cyclohexyl-6-ethenyloxane

C13H22O — CID 24795949

IUPAC(2S,6R)-2-cyclohexyl-6-ethenyloxane
SMILESC=C[C@H]1CCC[C@@H](C2CCCCC2)O1
InChIInChI=1S/C13H22O/c1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11/h2,11-13H,1,3-10H2/t12-,13-/m0/s1
InChIKeyGIZZQEHWWUHDQB-STQMWFEESA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds2

About (2S,6R)-2-cyclohexyl-6-ethenyloxane

(2S,6R)-2-cyclohexyl-6-ethenyloxane (PubChem CID 24795949) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2S,6R)-2-cyclohexyl-6-ethenyloxane.

Molecular Properties

Compound Name(2S,6R)-2-cyclohexyl-6-ethenyloxane
PubChem CID24795949
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2S,6R)-2-cyclohexyl-6-ethenyloxane
SMILESC=C[C@H]1CCC[C@@H](C2CCCCC2)O1
InChIInChI=1S/C13H22O/c1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11/h2,11-13H,1,3-10H2/t12-,13-/m0/s1
InChIKeyGIZZQEHWWUHDQB-STQMWFEESA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 4417734
2-cyclohexyl-3,6-dihydro-2H-pyran
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2H-Pyran, 2-cyclohexyl-5,6-dihydro-
CID 11829812
3-Methylidene-4,4a,5,6,7,8,9,9a-octahydrocyclohepta[b]pyran
CID 14437956
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
(2R)-2-cyclohexyl-2,5-dihydrofuran
CID 118013458
1-Prop-2-enoxybut-3-enylcyclohexane
CID 10631684
(2R,3S)-2-cyclohexyl-3-ethenyloxirane
CID 11062567
(6R)-6-cyclohexyl-3,6-dihydro-2H-pyran
CID 12023482
(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
CID 12023486
2-Cyclohexyl-3-ethenyloxirane
CID 12669133

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-cyclohexyl-6-ethenyloxane?
The IUPAC name of (2S,6R)-2-cyclohexyl-6-ethenyloxane (CID 24795949) is (2S,6R)-2-cyclohexyl-6-ethenyloxane.
What is the SMILES notation for (2S,6R)-2-cyclohexyl-6-ethenyloxane?
The canonical SMILES for (2S,6R)-2-cyclohexyl-6-ethenyloxane is C=C[C@H]1CCC[C@@H](C2CCCCC2)O1.
What is the InChIKey of (2S,6R)-2-cyclohexyl-6-ethenyloxane?
The InChIKey is GIZZQEHWWUHDQB-STQMWFEESA-N. The full InChI is InChI=1S/C13H22O/c1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11/h2,11-13H,1,3-10H2/t12-,13-/m0/s1.
What are the key properties of (2S,6R)-2-cyclohexyl-6-ethenyloxane?
(2S,6R)-2-cyclohexyl-6-ethenyloxane has a molecular weight of 194.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-cyclohexyl-6-ethenyloxane is sourced from PubChem (CID 24795949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).