2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane

C12H18O2 — CID 11287019

IUPAC2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane
SMILESC=C1OC(C=C2CCCCC2)OC1C
InChIInChI=1S/C12H18O2/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h8,10,12H,1,3-7H2,2H3
InChIKeyVDTMEFPDZDYQAK-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.15
Rot. Bonds1

About 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane

2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane (PubChem CID 11287019) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane.

Molecular Properties

Compound Name2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane
PubChem CID11287019
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane
SMILESC=C1OC(C=C2CCCCC2)OC1C
InChIInChI=1S/C12H18O2/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h8,10,12H,1,3-7H2,2H3
InChIKeyVDTMEFPDZDYQAK-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.15
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

Geranial propylene glycol acetal
CID 5338463
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
Citracetal
CID 1615097
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-
CID 61519
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxolane
CID 47922
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,5-dimethyl-
CID 5980986
2,4-Dimethyl-7-ethyl-6,8-dioxabicyclo-[3.2.1]-3-octene
CID 13429331
2-[(E)-2-methylundec-1-enyl]-1,3-dioxolane
CID 101056458
2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane
CID 134995175
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
CID 5356479

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane?
The IUPAC name of 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane (CID 11287019) is 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane.
What is the SMILES notation for 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane?
The canonical SMILES for 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane is C=C1OC(C=C2CCCCC2)OC1C.
What is the InChIKey of 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane?
The InChIKey is VDTMEFPDZDYQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h8,10,12H,1,3-7H2,2H3.
What are the key properties of 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane?
2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane has a molecular weight of 194.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethyl)-4-methyl-5-methylidene-1,3-dioxolane is sourced from PubChem (CID 11287019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).