2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane

C16H26O2 — CID 11345713

IUPAC2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane
SMILESC=C=CC(C(C)C)C1(CC=C)COC(C)(C)OC1
InChIInChI=1S/C16H26O2/c1-7-9-14(13(3)4)16(10-8-2)11-17-15(5,6)18-12-16/h8-9,13-14H,1-2,10-12H2,3-6H3
InChIKeyWZLILZIGWCHJAT-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.95
Rot. Bonds5

About 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane

2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane (PubChem CID 11345713) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane
PubChem CID11345713
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane
SMILESC=C=CC(C(C)C)C1(CC=C)COC(C)(C)OC1
InChIInChI=1S/C16H26O2/c1-7-9-14(13(3)4)16(10-8-2)11-17-15(5,6)18-12-16/h8-9,13-14H,1-2,10-12H2,3-6H3
InChIKeyWZLILZIGWCHJAT-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.95
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

5,5-Diallyl-2,2-dimethyl-1,3-dioxane
CID 10932381
3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307661
(4S,5S)-4-ethyl-2,2,5-trimethyl-6-prop-2-enyl-1,3-dioxane
CID 134866043
(4S,5S,6S)-4-ethyl-2,2,5-trimethyl-6-(2-methylbut-3-en-2-yl)-1,3-dioxane
CID 134866214
7,11,11-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 578227
5-Butan-2-yl-2-cyclohex-3-en-1-yl-5-methyl-1,3-dioxane
CID 19803377
2-(4-Ethyloct-1-en-4-yl)-5,5-dimethyl-1,3-dioxane
CID 20130827
3,3,11-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 20307640
11-Methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene
CID 20307644
3-Ethyl-11-methyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 20307648
3-Ethyl-3-methyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307653
3,11-Dimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 20307658

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane (CID 11345713) is 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane is C=C=CC(C(C)C)C1(CC=C)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane?
The InChIKey is WZLILZIGWCHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-7-9-14(13(3)4)16(10-8-2)11-17-15(5,6)18-12-16/h8-9,13-14H,1-2,10-12H2,3-6H3.
What are the key properties of 2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane?
2,2-dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane has a molecular weight of 250.38 g/mol, XLogP of 3.95, 5 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-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 11345713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).