methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

C25H44O3 — CID 145309459

IUPACmethoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C)OC.COC.COC
InChIInChI=1S/C21H32O.2C2H6O/c1-15(2)10-11-16(3)18(5)14-19(6)21(8)17(4)12-13-20(7)22-9;2*1-3-2/h12-16H,4-5,7-8,10-11H2,1-3,6,9H3;2*1-2H3/b13-12-,19-14-;;
InChIKeyRYVOWRUBUMXNKC-LBZVSWDGSA-N
MW392.62 g/mol
LogP6.92
Rot. Bonds10

About methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (PubChem CID 145309459) has the molecular formula C25H44O3 and a molecular weight of 392.62 g/mol. Its IUPAC name is methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.

Molecular Properties

Compound Namemethoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
PubChem CID145309459
Molecular FormulaC25H44O3
Molecular Weight392.62 g/mol
Exact Mass392.33
IUPAC Namemethoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C)OC.COC.COC
InChIInChI=1S/C21H32O.2C2H6O/c1-15(2)10-11-16(3)18(5)14-19(6)21(8)17(4)12-13-20(7)22-9;2*1-3-2/h12-16H,4-5,7-8,10-11H2,1-3,6,9H3;2*1-2H3/b13-12-,19-14-;;
InChIKeyRYVOWRUBUMXNKC-LBZVSWDGSA-N
XLogP6.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.62
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene with MolForge

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Related Compounds

(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273
(3Z)-3,4-difluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-diene
CID 137398084
2-[(Z,6Z)-6-ethylidene-9-methoxy-4-methyl-3-methylidenenon-7-en-2-yl]-6-fluoro-5-[(2Z,4E)-hepta-2,4-dien-4-yl]cyclohexa-1,3-diene
CID 143527532
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene
CID 143772369
(3Z,7Z,11E)-2-butoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772417
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143772429
(3Z,7Z,11E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-propoxyoctadeca-1,3,7,11-tetraene
CID 143772475
(3Z,7Z,11E)-2-ethoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772534
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene
CID 143772574
(3Z,7Z,11E)-2-butoxy-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772668
(3Z,7Z,11Z)-2-but-3-enoxy-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772692
(3Z,7Z,11E)-3,4,12-trifluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11-tetraene
CID 143772732

Frequently Asked Questions

What is the IUPAC name of methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The IUPAC name of methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (CID 145309459) is methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.
What is the SMILES notation for methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The canonical SMILES for methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is C=C(/C=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C)OC.COC.COC.
What is the InChIKey of methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The InChIKey is RYVOWRUBUMXNKC-LBZVSWDGSA-N. The full InChI is InChI=1S/C21H32O.2C2H6O/c1-15(2)10-11-16(3)18(5)14-19(6)21(8)17(4)12-13-20(7)22-9;2*1-3-2/h12-16H,4-5,7-8,10-11H2,1-3,6,9H3;2*1-2H3/b13-12-,19-14-;;.
What are the key properties of methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene has a molecular weight of 392.62 g/mol, XLogP of 6.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;(3Z,7Z)-2-methoxy-7,10,13-trimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is sourced from PubChem (CID 145309459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).