5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene

C15H24O2 — CID 102149760

IUPAC5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1=C(C)CC(COC)(COC)CC1=C
InChIInChI=1S/C15H24O2/c1-11(2)14-12(3)7-15(9-16-5,10-17-6)8-13(14)4/h1,3,7-10H2,2,4-6H3
InChIKeyXSNYYBFOSVYDSL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.51
Rot. Bonds5

About 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene

5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene (PubChem CID 102149760) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene
PubChem CID102149760
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1=C(C)CC(COC)(COC)CC1=C
InChIInChI=1S/C15H24O2/c1-11(2)14-12(3)7-15(9-16-5,10-17-6)8-13(14)4/h1,3,7-10H2,2,4-6H3
InChIKeyXSNYYBFOSVYDSL-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethenylidene-5,5-bis(methoxymethyl)-1-methyl-2-propan-2-ylcyclohexene
CID 101726768
5,5-Bis(methoxymethyl)-1,7-dimethyl-2,4,5,6-tetrahydro-1H-indene
CID 71367517
5-Ethenyl-3,3-bis(methoxymethyl)-1-methylcyclohexene
CID 135060488
(3S,4S)-2-ethenyl-4-methoxy-3-(methoxymethyl)-1,3-dimethylcyclohexene
CID 11789061
4,4-Bis(methoxymethyl)-6-methylidene-1-prop-1-en-2-ylcyclohexene
CID 12104346
(1S)-5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
CID 12104347
5,5-Bis(methoxymethyl)-1-methyl-2-propan-2-yl-3-prop-1-enylidenecyclohexene
CID 101726765
9,9-Bis(methoxymethyl)-1,2,3,4,5,6,7,8-octahydrofluorene
CID 21972417
1,1-Bis(methoxymethyl)-4,5,6,7-tetrahydroindene
CID 22140499
1,1-Bis(methoxymethyl)-4,7-dimethyl-4,5,6,7-tetrahydroindene
CID 22140514
4,4-Bis(methoxymethyl)-1,2,3,3,6,6-hexamethylcyclohexene
CID 58816996
4-(5-Methoxypentyl)-1,5-dimethylcyclohexa-1,3-diene
CID 68177558

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene?
The IUPAC name of 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene (CID 102149760) is 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene is C=C(C)C1=C(C)CC(COC)(COC)CC1=C.
What is the InChIKey of 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene?
The InChIKey is XSNYYBFOSVYDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)14-12(3)7-15(9-16-5,10-17-6)8-13(14)4/h1,3,7-10H2,2,4-6H3.
What are the key properties of 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene?
5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene has a molecular weight of 236.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-1-methyl-3-methylidene-2-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 102149760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).