2,2,6-trimethyl-6-prop-2-enyloxane

C11H20O — CID 44604860

IUPAC2,2,6-trimethyl-6-prop-2-enyloxane
SMILESC=CCC1(C)CCCC(C)(C)O1
InChIInChI=1S/C11H20O/c1-5-7-11(4)9-6-8-10(2,3)12-11/h5H,1,6-9H2,2-4H3
InChIKeyFIUWALHZRJKZLZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds2

About 2,2,6-trimethyl-6-prop-2-enyloxane

2,2,6-trimethyl-6-prop-2-enyloxane (PubChem CID 44604860) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-prop-2-enyloxane.

Molecular Properties

Compound Name2,2,6-trimethyl-6-prop-2-enyloxane
PubChem CID44604860
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2,6-trimethyl-6-prop-2-enyloxane
SMILESC=CCC1(C)CCCC(C)(C)O1
InChIInChI=1S/C11H20O/c1-5-7-11(4)9-6-8-10(2,3)12-11/h5H,1,6-9H2,2-4H3
InChIKeyFIUWALHZRJKZLZ-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,6,6-trimethyloxan-2-yl)acetaldehyde
CID 88884784
(7R)-7-methyl-7-prop-2-enyloxepan-2-one
CID 146173300
2-dodecyl-2,6,6-trimethyloxane
CID 134843954
1,5-dimethyl-8-prop-2-enylbicyclo[3.2.1]octan-8-ol
CID 70541588
1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
2-methyl-2-prop-2-enylmorpholine
CID 21429943
N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine
CID 130672837
[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190097
1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
(2S,3S,4aS,8aS)-2,3-dimethyl-2,3-bis(prop-2-enyl)-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxine
CID 11322682

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-prop-2-enyloxane?
The IUPAC name of 2,2,6-trimethyl-6-prop-2-enyloxane (CID 44604860) is 2,2,6-trimethyl-6-prop-2-enyloxane.
What is the SMILES notation for 2,2,6-trimethyl-6-prop-2-enyloxane?
The canonical SMILES for 2,2,6-trimethyl-6-prop-2-enyloxane is C=CCC1(C)CCCC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-6-prop-2-enyloxane?
The InChIKey is FIUWALHZRJKZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-7-11(4)9-6-8-10(2,3)12-11/h5H,1,6-9H2,2-4H3.
What are the key properties of 2,2,6-trimethyl-6-prop-2-enyloxane?
2,2,6-trimethyl-6-prop-2-enyloxane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-prop-2-enyloxane is sourced from PubChem (CID 44604860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).