2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane

C15H26O4 — CID 67864645

IUPAC2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane
SMILESC=CCC1CCC(CC=C)(C(OC)OC)OC1OC
InChIInChI=1S/C15H26O4/c1-6-8-12-9-11-15(10-7-2,14(17-4)18-5)19-13(12)16-3/h6-7,12-14H,1-2,8-11H2,3-5H3
InChIKeyDEHOWWLQEIRQJA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.90
Rot. Bonds8

About 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane

2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane (PubChem CID 67864645) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane.

Molecular Properties

Compound Name2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane
PubChem CID67864645
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane
SMILESC=CCC1CCC(CC=C)(C(OC)OC)OC1OC
InChIInChI=1S/C15H26O4/c1-6-8-12-9-11-15(10-7-2,14(17-4)18-5)19-13(12)16-3/h6-7,12-14H,1-2,8-11H2,3-5H3
InChIKeyDEHOWWLQEIRQJA-UHFFFAOYSA-N
XLogP2.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol
CID 102266625
2-(7-Methylnon-8-enoxy)oxane
CID 134966880
(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane
CID 58658291
(3R,4S,5R,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane
CID 67148123
(2S,3R,4S,5R,6R)-6-(1-hydroxybut-3-enyl)-2-methoxy-3-prop-2-enyloxane-3,4,5-triol
CID 67828521
(2R,3R,4S,5S,6S)-2-methoxy-4-(methoxymethoxy)-3,5-dimethyl-6-prop-2-enyloxane
CID 89207226
2-Ethenoxy-4-ethyl-6-pent-4-enyloxane
CID 156097455
(3R,4S,6S)-2-(but-3-enoxymethyl)-6-methoxy-3,4,5-trimethyloxane
CID 158180894
(3S,4S,6S)-2-(but-3-enoxymethyl)-6-methoxy-3,4,5-trimethyloxane
CID 159537693
(3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 168912945
(3S,4S,5R)-6-but-3-enoxy-2,2-diethyl-3,4,5-trimethyloxane
CID 175618710
(2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane
CID 10587070

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane?
The IUPAC name of 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane (CID 67864645) is 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane.
What is the SMILES notation for 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane?
The canonical SMILES for 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane is C=CCC1CCC(CC=C)(C(OC)OC)OC1OC.
What is the InChIKey of 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane?
The InChIKey is DEHOWWLQEIRQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-6-8-12-9-11-15(10-7-2,14(17-4)18-5)19-13(12)16-3/h6-7,12-14H,1-2,8-11H2,3-5H3.
What are the key properties of 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane?
2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane has a molecular weight of 270.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-6-methoxy-2,5-bis(prop-2-enyl)oxane is sourced from PubChem (CID 67864645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).