2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane

C11H18O2 — CID 15399792

IUPAC2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane
SMILESC=CCOC1CCC(=C)C(C)(C)O1
InChIInChI=1S/C11H18O2/c1-5-8-12-10-7-6-9(2)11(3,4)13-10/h5,10H,1-2,6-8H2,3-4H3
InChIKeyAMCYFFJOGMVZLL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds3

About 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane

2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane (PubChem CID 15399792) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane
PubChem CID15399792
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane
SMILESC=CCOC1CCC(=C)C(C)(C)O1
InChIInChI=1S/C11H18O2/c1-5-8-12-10-7-6-9(2)11(3,4)13-10/h5,10H,1-2,6-8H2,3-4H3
InChIKeyAMCYFFJOGMVZLL-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
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

2H-Pyran, 2-[(1-ethenyl-1,5-dimethyl-4-hexenyl)oxy]tetrahydro-
CID 558950
2-(2-Methylidenehept-6-enoxy)oxane
CID 139252753
(3R,5R,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241359
(3R,4S,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241381
2-Ethenyl-6-methoxyoxane
CID 85777475
(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 123210808
(3R,4S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 123802921
(2R,6R)-2-ethenyl-6-methoxyoxane
CID 144009148
2-(3-Methylhexa-1,5-dien-3-yloxy)oxane
CID 154196292
2-Ethenyl-2-methoxy-3-methyloxane
CID 159185549
2-Ethenyl-6-ethoxy-2-methyloxane
CID 163923652
2-Ethoxy-5-methylidene-1-oxaspiro[5.5]undecane
CID 10703678

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane?
The IUPAC name of 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane (CID 15399792) is 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane.
What is the SMILES notation for 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane?
The canonical SMILES for 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane is C=CCOC1CCC(=C)C(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane?
The InChIKey is AMCYFFJOGMVZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-8-12-10-7-6-9(2)11(3,4)13-10/h5,10H,1-2,6-8H2,3-4H3.
What are the key properties of 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane?
2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidene-6-prop-2-enoxyoxane is sourced from PubChem (CID 15399792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).