2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane

C15H28O2 — CID 3708293

IUPAC2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane
SMILESCC(C)=CCCC(C)CC1OCC(C)(C)CO1
InChIInChI=1S/C15H28O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h7,13-14H,6,8-11H2,1-5H3
InChIKeyNBRLPXWLGXAHBK-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.16
Rot. Bonds5

About 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane

2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane (PubChem CID 3708293) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane
PubChem CID3708293
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane
SMILESCC(C)=CCCC(C)CC1OCC(C)(C)CO1
InChIInChI=1S/C15H28O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h7,13-14H,6,8-11H2,1-5H3
InChIKeyNBRLPXWLGXAHBK-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.16
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

1,1-Diethoxy-3,7-dimethyloct-6-ene
CID 3018210
2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-
CID 107057
1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
CID 16070752
2-Octene, 8,8-dimethoxy-2,6-dimethyl-
CID 102507
2-Octene, 8-(1-ethoxyethoxy)-2,6-dimethyl-
CID 111452
1,3-Dioxolane, 2-((2S)-2,6-dimethyl-5-hepten-1-yl)-
CID 86410
2,4-Dioxaspiro[5.5]undec-8-ene, 3-ethyl-
CID 116562
3-(3-Cyclohexenyl)-2,4-dioxaspiro(5.5)undec-8-ene
CID 15756
2-(2,6-Dimethyl-5-heptenyl)-4-methyl-1,3-dioxane
CID 228644
1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-
CID 11970548
2-Octene, 8-(2,2-dimethoxyethoxy)-2,6-dimethyl-
CID 162492
2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
CID 172844

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane (CID 3708293) is 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane is CC(C)=CCCC(C)CC1OCC(C)(C)CO1.
What is the InChIKey of 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane?
The InChIKey is NBRLPXWLGXAHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h7,13-14H,6,8-11H2,1-5H3.
What are the key properties of 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane?
2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane has a molecular weight of 240.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 3708293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).