2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane

C15H24O2 — CID 11680270

IUPAC2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
SMILESC=C(C)C1CC=C(COC2CCCCO2)CC1
InChIInChI=1S/C15H24O2/c1-12(2)14-8-6-13(7-9-14)11-17-15-5-3-4-10-16-15/h6,14-15H,1,3-5,7-11H2,2H3
InChIKeyZXVYVIJHQJQFFF-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.83
Rot. Bonds4

About 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane

2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane (PubChem CID 11680270) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane.

Molecular Properties

Compound Name2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
PubChem CID11680270
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
SMILESC=C(C)C1CC=C(COC2CCCCO2)CC1
InChIInChI=1S/C15H24O2/c1-12(2)14-8-6-13(7-9-14)11-17-15-5-3-4-10-16-15/h6,14-15H,1,3-5,7-11H2,2H3
InChIKeyZXVYVIJHQJQFFF-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol
CID 141352252
(4-prop-1-en-2-ylcyclohexen-1-yl)methanesulfonic acid
CID 118596934
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane
CID 102509937
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4-carbamoyl-1-methylpyrrole-2-carboxylate
CID 99592075
2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane
CID 85397589
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
CID 782801
1-ethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
CID 782854
3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one
CID 11579579
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600

Frequently Asked Questions

What is the IUPAC name of 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane?
The IUPAC name of 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane (CID 11680270) is 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane.
What is the SMILES notation for 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane?
The canonical SMILES for 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane is C=C(C)C1CC=C(COC2CCCCO2)CC1.
What is the InChIKey of 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane?
The InChIKey is ZXVYVIJHQJQFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)14-8-6-13(7-9-14)11-17-15-5-3-4-10-16-15/h6,14-15H,1,3-5,7-11H2,2H3.
What are the key properties of 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane?
2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane has a molecular weight of 236.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane is sourced from PubChem (CID 11680270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).