6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene

C15H22O3 — CID 101202650

IUPAC6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C2=CCCCC2)C2OC(C)(C)OC12
InChIInChI=1S/C15H22O3/c1-15(2)17-13-11(9-16-3)12(14(13)18-15)10-7-5-4-6-8-10/h7,13-14H,4-6,8-9H2,1-3H3
InChIKeyBBMOYUAPEBXMES-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.96
Rot. Bonds3

About 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene

6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene (PubChem CID 101202650) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene
PubChem CID101202650
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C2=CCCCC2)C2OC(C)(C)OC12
InChIInChI=1S/C15H22O3/c1-15(2)17-13-11(9-16-3)12(14(13)18-15)10-7-5-4-6-8-10/h7,13-14H,4-6,8-9H2,1-3H3
InChIKeyBBMOYUAPEBXMES-UHFFFAOYSA-N
XLogP2.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene with MolForge

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Related Compounds

(3aR,5aS,6aS,6bR)-2,2,4-trimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
CID 134846165
Carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
CID 134884872
1-Acetylcyclohexene ethyleneacetal
CID 10678693
(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
CID 11162206
8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 58562577
(3aR,5aR,6aR,6bR)-2,2,4-trimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
CID 58798855
(3aR,6bR)-2,2,4-trimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
CID 58805459
(3aR,6aR,6bR)-2,2,4-trimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
CID 58805468
2-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(oxiran-2-ylmethyl)-1,3-dioxolane
CID 88903670
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane
CID 90463747
8,9-Bis(but-2-en-2-yl)-1,4-dioxaspiro[4.4]non-8-ene
CID 123966502
2-(7-cyclobutylidene-7-ethoxyheptyl)-2-[(4E)-4-[(2Z)-penta-2,4-dienylidene]cyclohexa-1,5-dien-1-yl]-1,3-dioxolane
CID 142086802

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene?
The IUPAC name of 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene (CID 101202650) is 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene is COCC1=C(C2=CCCCC2)C2OC(C)(C)OC12.
What is the InChIKey of 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene?
The InChIKey is BBMOYUAPEBXMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2)17-13-11(9-16-3)12(14(13)18-15)10-7-5-4-6-8-10/h7,13-14H,4-6,8-9H2,1-3H3.
What are the key properties of 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene?
6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene has a molecular weight of 250.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 101202650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).