4-[(E)-2-cyclohexylethenyl]oxane

C13H22O — CID 169432357

IUPAC4-[(E)-2-cyclohexylethenyl]oxane
SMILESC(=C/C1CCOCC1)\C1CCCCC1
InChIInChI=1S/C13H22O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h6-7,12-13H,1-5,8-11H2/b7-6+
InChIKeyAYDGEYUGSGNLNP-VOTSOKGWSA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds2

About 4-[(E)-2-cyclohexylethenyl]oxane

4-[(E)-2-cyclohexylethenyl]oxane (PubChem CID 169432357) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-[(E)-2-cyclohexylethenyl]oxane.

Molecular Properties

Compound Name4-[(E)-2-cyclohexylethenyl]oxane
PubChem CID169432357
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-[(E)-2-cyclohexylethenyl]oxane
SMILESC(=C/C1CCOCC1)\C1CCCCC1
InChIInChI=1S/C13H22O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h6-7,12-13H,1-5,8-11H2/b7-6+
InChIKeyAYDGEYUGSGNLNP-VOTSOKGWSA-N
XLogP3.55
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 ≤ 53.55
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

4-(Ethoxymethyl)cyclohexene
CID 85982053
4-(Cyclohex-3-en-1-ylmethoxymethyl)cyclohexene
CID 57199870
2-[(E)-2-cyclohexylethenyl]oxane
CID 102306729
((E)-4-(dodeca-1,11-dien-1-yl)tetrahydro-2H-pyran
CID 169432355
4-[(E)-non-1-enyl]oxane
CID 176426755
3-Oxabicyclo[3.3.1]non-6-ene
CID 15744627
Ditetrahydrobenzyl ether
CID 18620282
1-[(E)-prop-1-enyl]-4-propoxycyclohexane
CID 20705638
1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane
CID 20705639
4-[(4-Propan-2-ylcyclohexylidene)methyl]oxane
CID 21025526
4-Methyl-5-(propoxymethyl)cyclohexene
CID 21996722
1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane
CID 22095343

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-cyclohexylethenyl]oxane?
The IUPAC name of 4-[(E)-2-cyclohexylethenyl]oxane (CID 169432357) is 4-[(E)-2-cyclohexylethenyl]oxane.
What is the SMILES notation for 4-[(E)-2-cyclohexylethenyl]oxane?
The canonical SMILES for 4-[(E)-2-cyclohexylethenyl]oxane is C(=C/C1CCOCC1)\C1CCCCC1.
What is the InChIKey of 4-[(E)-2-cyclohexylethenyl]oxane?
The InChIKey is AYDGEYUGSGNLNP-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H22O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h6-7,12-13H,1-5,8-11H2/b7-6+.
What are the key properties of 4-[(E)-2-cyclohexylethenyl]oxane?
4-[(E)-2-cyclohexylethenyl]oxane has a molecular weight of 194.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-cyclohexylethenyl]oxane is sourced from PubChem (CID 169432357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).