2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane

C15H24O2 — CID 11791203

IUPAC2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(C2CCCC2=C)COC(C)(C)OC1
InChIInChI=1S/C15H24O2/c1-5-9-15(13-8-6-7-12(13)2)10-16-14(3,4)17-11-15/h5,13H,1-2,6-11H2,3-4H3
InChIKeyISEZGJJIIWYHNS-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds3

About 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane

2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane (PubChem CID 11791203) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane
PubChem CID11791203
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(C2CCCC2=C)COC(C)(C)OC1
InChIInChI=1S/C15H24O2/c1-5-9-15(13-8-6-7-12(13)2)10-16-14(3,4)17-11-15/h5,13H,1-2,6-11H2,3-4H3
InChIKeyISEZGJJIIWYHNS-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
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

(3E)-3-(iodomethylidene)-8,8-dimethyl-2-prop-1-en-2-yl-7,9-dioxaspiro[4.5]decane
CID 135041213
9,11,13-Trimethyl-6,15-dioxadispiro[4.2.5^{8}.2^{5}]pentadec-11-ene
CID 2855764
5-Pentyl-5-prop-2-enyl-1,3-dioxane
CID 67828799
2-[2,4-Bis(ethenyl)cyclopentyl]-2-methyl-1,3-dioxane
CID 68010748
5-Dodecan-2-yl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 69287627
5-Dodecyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 69287629
9,9,12-Trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene
CID 141221883
(9S,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
CID 872555
(9R,13R)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
CID 872556
(9S,13S)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
CID 872557
(9R,13S)-9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-11-ene
CID 872558
(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
CID 11052920

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane (CID 11791203) is 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane is C=CCC1(C2CCCC2=C)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane?
The InChIKey is ISEZGJJIIWYHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-9-15(13-8-6-7-12(13)2)10-16-14(3,4)17-11-15/h5,13H,1-2,6-11H2,3-4H3.
What are the key properties of 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane?
2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane has a molecular weight of 236.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 11791203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).