(3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene

C23H36O — CID 142282504

IUPAC(3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene
SMILESC=C(/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC
InChIInChI=1S/C23H36O/c1-10-17(3)12-13-18(4)19(5)14-15-20(6)22(8)23(11-2)16-21(7)24-9/h14-18H,5-8,10-13H2,1-4,9H3/b15-14-,23-16-
InChIKeyLKWVABHZYMTJGE-GTXPRLNLSA-N
MW328.54 g/mol
LogP7.17
Rot. Bonds12

About (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene

(3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene (PubChem CID 142282504) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene.

Molecular Properties

Compound Name(3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene
PubChem CID142282504
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name(3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene
SMILESC=C(/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC
InChIInChI=1S/C23H36O/c1-10-17(3)12-13-18(4)19(5)14-15-20(6)22(8)23(11-2)16-21(7)24-9/h14-18H,5-8,10-13H2,1-4,9H3/b15-14-,23-16-
InChIKeyLKWVABHZYMTJGE-GTXPRLNLSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 57.17
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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene?
The IUPAC name of (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene (CID 142282504) is (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene.
What is the SMILES notation for (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene?
The canonical SMILES for (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene is C=C(/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC.
What is the InChIKey of (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene?
The InChIKey is LKWVABHZYMTJGE-GTXPRLNLSA-N. The full InChI is InChI=1S/C23H36O/c1-10-17(3)12-13-18(4)19(5)14-15-20(6)22(8)23(11-2)16-21(7)24-9/h14-18H,5-8,10-13H2,1-4,9H3/b15-14-,23-16-.
What are the key properties of (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene?
(3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene has a molecular weight of 328.54 g/mol, XLogP of 7.17, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene is sourced from PubChem (CID 142282504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).