2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane

C14H24O2 — CID 11020550

IUPAC2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane
SMILESC=CCOC1CCC(=C)C(C)(CC(C)C)O1
InChIInChI=1S/C14H24O2/c1-6-9-15-13-8-7-12(4)14(5,16-13)10-11(2)3/h6,11,13H,1,4,7-10H2,2-3,5H3
InChIKeyNIAQDNPOWSLACW-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds5

About 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane

2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane (PubChem CID 11020550) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane
PubChem CID11020550
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane
SMILESC=CCOC1CCC(=C)C(C)(CC(C)C)O1
InChIInChI=1S/C14H24O2/c1-6-9-15-13-8-7-12(4)14(5,16-13)10-11(2)3/h6,11,13H,1,4,7-10H2,2-3,5H3
InChIKeyNIAQDNPOWSLACW-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
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

2-(7-Methylnon-8-enoxy)oxane
CID 134966880
2-Ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 21339254
2-(1-Cyclohexylprop-2-enoxy)oxane
CID 54027830
(6-Ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate
CID 58210481
(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
(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane
CID 58658291
(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 59163670
(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 59226844
2-(Dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane
CID 67864645
(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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane?
The IUPAC name of 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane (CID 11020550) is 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane.
What is the SMILES notation for 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane?
The canonical SMILES for 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane is C=CCOC1CCC(=C)C(C)(CC(C)C)O1.
What is the InChIKey of 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane?
The InChIKey is NIAQDNPOWSLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-9-15-13-8-7-12(4)14(5,16-13)10-11(2)3/h6,11,13H,1,4,7-10H2,2-3,5H3.
What are the key properties of 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane?
2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane has a molecular weight of 224.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane is sourced from PubChem (CID 11020550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).