(3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane

C26H38O — CID 142281756

IUPAC(3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane
SMILESC=C(/C=C\C(=C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C\C(=C)OC)CC.CCC
InChIInChI=1S/C23H30O.C3H8/c1-10-17(3)12-13-18(4)20(6)16-23(11-2)22(8)19(5)14-15-21(7)24-9;1-3-2/h12-16H,3-8,10-11H2,1-2,9H3;3H2,1-2H3/b13-12-,15-14-,23-16-;
InChIKeyIQVGRSBCDQZRGP-UJXAZSQBSA-N
MW366.59 g/mol
LogP8.20
Rot. Bonds11

About (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane

(3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane (PubChem CID 142281756) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane.

Molecular Properties

Compound Name(3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane
PubChem CID142281756
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name(3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane
SMILESC=C(/C=C\C(=C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C\C(=C)OC)CC.CCC
InChIInChI=1S/C23H30O.C3H8/c1-10-17(3)12-13-18(4)20(6)16-23(11-2)22(8)19(5)14-15-21(7)24-9;1-3-2/h12-16H,3-8,10-11H2,1-2,9H3;3H2,1-2H3/b13-12-,15-14-,23-16-;
InChIKeyIQVGRSBCDQZRGP-UJXAZSQBSA-N
XLogP8.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane with MolForge

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Related Compounds

Methoxydimethyloctadiene
CID 87220842
(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene
CID 89146626
1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-3-fluorocyclohexa-1,3-diene
CID 143772899
(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 145380881
(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 145418904
(2E,4Z,6Z)-6-butan-2-ylidene-3-(difluoromethoxy)undeca-2,4-diene
CID 167102905
(2E,4E)-4-methoxynona-2,4-diene
CID 9989452
(3E)-2-ethoxy-1,3-nonadiene
CID 24973965
(E)-2-ethenoxy-4-methyloct-3-ene
CID 134859103
(3E,7E,11E)-4,8,12-trimethyl-2-methylidene-1-oxacyclotrideca-3,7,11-triene
CID 134897895
(3Z)-2-ethoxynona-1,3-diene
CID 134983110
(3Z,7E,11Z)-7-fluoro-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene
CID 142282840

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane?
The IUPAC name of (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane (CID 142281756) is (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane.
What is the SMILES notation for (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane?
The canonical SMILES for (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane is C=C(/C=C\C(=C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C\C(=C)OC)CC.CCC.
What is the InChIKey of (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane?
The InChIKey is IQVGRSBCDQZRGP-UJXAZSQBSA-N. The full InChI is InChI=1S/C23H30O.C3H8/c1-10-17(3)12-13-18(4)20(6)16-23(11-2)22(8)19(5)14-15-21(7)24-9;1-3-2/h12-16H,3-8,10-11H2,1-2,9H3;3H2,1-2H3/b13-12-,15-14-,23-16-;.
What are the key properties of (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane?
(3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane has a molecular weight of 366.59 g/mol, XLogP of 8.20, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane is sourced from PubChem (CID 142281756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).