(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane

C24H40O — CID 142282906

IUPAC(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC.CCC
InChIInChI=1S/C21H32O.C3H8/c1-9-16(2)10-11-17(3)18(4)12-13-19(5)20(6)14-15-21(7)22-8;1-3-2/h12-17H,4-7,9-11H2,1-3,8H3;3H2,1-2H3/b13-12-,15-14-;
InChIKeyJJNUWMCZOWLTTO-ZABJIEAISA-N
MW344.58 g/mol
LogP7.81
Rot. Bonds11

About (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane

(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane (PubChem CID 142282906) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane.

Molecular Properties

Compound Name(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane
PubChem CID142282906
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC.CCC
InChIInChI=1S/C21H32O.C3H8/c1-9-16(2)10-11-17(3)18(4)12-13-19(5)20(6)14-15-21(7)22-8;1-3-2/h12-17H,4-7,9-11H2,1-3,8H3;3H2,1-2H3/b13-12-,15-14-;
InChIKeyJJNUWMCZOWLTTO-ZABJIEAISA-N
XLogP7.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 57.81
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)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane with MolForge

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Launch Full Analysis

Related Compounds

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CID 6436634
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CID 92284
(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
2-(Fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene
CID 91288012
(1Z,3E,5E,7E,9E)-11-butyl-10-ethenyl-3-ethoxy-1,2-difluoro-14-methylpentadeca-1,3,5,7,9-pentaene
CID 126727542
(3Z)-3,4-difluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-diene
CID 137398084
1-[(3Z,4E,8Z)-10-(difluoromethoxy)-3-ethylidene-5-fluoro-6,7-dimethylideneundeca-4,8,10-trienyl]-4-methylcyclohexane
CID 141898719
1-[(4Z,8Z)-10-(difluoromethoxy)-3,6,7-trimethylideneundeca-4,8,10-trienyl]-4-methylcyclohexane
CID 141898720
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
5-(4-Ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 143612329
(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

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane?
The IUPAC name of (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane (CID 142282906) is (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane.
What is the SMILES notation for (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane?
The canonical SMILES for (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane is C=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC.CCC.
What is the InChIKey of (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane?
The InChIKey is JJNUWMCZOWLTTO-ZABJIEAISA-N. The full InChI is InChI=1S/C21H32O.C3H8/c1-9-16(2)10-11-17(3)18(4)12-13-19(5)20(6)14-15-21(7)22-8;1-3-2/h12-17H,4-7,9-11H2,1-3,8H3;3H2,1-2H3/b13-12-,15-14-;.
What are the key properties of (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane?
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane has a molecular weight of 344.58 g/mol, XLogP of 7.81, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane is sourced from PubChem (CID 142282906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).