8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane

C11H20N2O2 — CID 88892132

IUPAC8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane
SMILESC=C1NC(CCC)NOC(C)(C)OC1=C
InChIInChI=1S/C11H20N2O2/c1-6-7-10-12-8(2)9(3)14-11(4,5)15-13-10/h10,12-13H,2-3,6-7H2,1,4-5H3
InChIKeyRYLXHSVQTBGCPY-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.02
Rot. Bonds2

About 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane

8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane (PubChem CID 88892132) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane.

Molecular Properties

Compound Name8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane
PubChem CID88892132
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane
SMILESC=C1NC(CCC)NOC(C)(C)OC1=C
InChIInChI=1S/C11H20N2O2/c1-6-7-10-12-8(2)9(3)14-11(4,5)15-13-10/h10,12-13H,2-3,6-7H2,1,4-5H3
InChIKeyRYLXHSVQTBGCPY-UHFFFAOYSA-N
XLogP2.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 149135851
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4-ethyl-4-methyl-3-methylideneoxetan-2-one
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(3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one
CID 58773526
6-methyl-5-propyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 10397190
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
2-methylidene-4-prop-1-en-2-yl-3-propylazetidine
CID 126555441
6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene
CID 91578126
1-ethyl-2-methylidene-3-propylcyclopropane
CID 123561937
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
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1,1,3-trimethyl-2-propylcyclopentane
CID 154529227

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane?
The IUPAC name of 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane (CID 88892132) is 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane.
What is the SMILES notation for 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane?
The canonical SMILES for 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane is C=C1NC(CCC)NOC(C)(C)OC1=C.
What is the InChIKey of 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane?
The InChIKey is RYLXHSVQTBGCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6-7-10-12-8(2)9(3)14-11(4,5)15-13-10/h10,12-13H,2-3,6-7H2,1,4-5H3.
What are the key properties of 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane?
8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane has a molecular weight of 212.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5,6-dimethylidene-3-propyl-1,7,2,4-dioxadiazocane is sourced from PubChem (CID 88892132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).